2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene

C324H354S36 — CID 58666500

IUPAC2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCc1ccc(-c2csc(-c3ccc(-c4cc(-c5cc(-c6cc(-c7cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)c7)cc(-c7cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)c7)c6)cc(-c6cc(-c7ccc(-c8ccc(-c9ccc(CCCCCCCCCC)s9)s8)s7)cc(-c7ccc(-c8ccc(-c9ccc(CCCCCCCCCC)s9)s8)s7)c6)c5)cc(-c5ccc(-c6ccc(-c7ccc(CCCCCCCCCC)s7)s6)s5)c4)s3)c2)s1
InChIInChI=1S/C324H354S36/c1-13-25-37-49-61-73-85-97-109-254-121-133-278(326-254)253-221-324(325-222-253)323-168-156-277(349-323)252-214-240(213-251(220-252)276-155-167-311(348-276)322-190-179-300(360-322)289-144-132-265(337-289)120-108-96-84-72-60-48-36-24-12)234-199-228(198-233(202-234)239-211-249(274-153-165-309(346-274)320-188-177-298(358-320)287-142-130-263(335-287)118-106-94-82-70-58-46-34-22-10)219-250(212-239)275-154-166-310(347-275)321-189-178-299(359-321)288-143-131-264(336-288)119-107-95-83-71-59-47-35-23-11)225-192-223(226-194-229(235-203-241(266-145-157-301(338-266)312-180-169-290(350-312)279-134-122-255(327-279)110-98-86-74-62-50-38-26-14-2)215-242(204-235)267-146-158-302(339-267)313-181-170-291(351-313)280-135-123-256(328-280)111-99-87-75-63-51-39-27-15-3)200-230(195-226)236-205-243(268-147-159-303(340-268)314-182-171-292(352-314)281-136-124-257(329-281)112-100-88-76-64-52-40-28-16-4)216-244(206-236)269-148-160-304(341-269)315-183-172-293(353-315)282-137-125-258(330-282)113-101-89-77-65-53-41-29-17-5)191-224(193-225)227-196-231(237-207-245(270-149-161-305(342-270)316-184-173-294(354-316)283-138-126-259(331-283)114-102-90-78-66-54-42-30-18-6)217-246(208-237)271-150-162-306(343-271)317-185-174-295(355-317)284-139-127-260(332-284)115-103-91-79-67-55-43-31-19-7)201-232(197-227)238-209-247(272-151-163-307(344-272)318-186-175-296(356-318)285-140-128-261(333-285)116-104-92-80-68-56-44-32-20-8)218-248(210-238)273-152-164-308(345-273)319-187-176-297(357-319)286-141-129-262(334-286)117-105-93-81-69-57-45-33-21-9/h121-222H,13-120H2,1-12H3
InChIKeyGTOGWUBKXJFSDW-UHFFFAOYSA-N
MW5402.81 g/mol
LogP123.11
Rot. Bonds153

About 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene

2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene (PubChem CID 58666500) has the molecular formula C324H354S36 and a molecular weight of 5402.81 g/mol. Its IUPAC name is 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene
PubChem CID58666500
Molecular FormulaC324H354S36
Molecular Weight5402.81 g/mol
Exact Mass5395.76
IUPAC Name2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCc1ccc(-c2csc(-c3ccc(-c4cc(-c5cc(-c6cc(-c7cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)c7)cc(-c7cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)c7)c6)cc(-c6cc(-c7ccc(-c8ccc(-c9ccc(CCCCCCCCCC)s9)s8)s7)cc(-c7ccc(-c8ccc(-c9ccc(CCCCCCCCCC)s9)s8)s7)c6)c5)cc(-c5ccc(-c6ccc(-c7ccc(CCCCCCCCCC)s7)s6)s5)c4)s3)c2)s1
InChIInChI=1S/C324H354S36/c1-13-25-37-49-61-73-85-97-109-254-121-133-278(326-254)253-221-324(325-222-253)323-168-156-277(349-323)252-214-240(213-251(220-252)276-155-167-311(348-276)322-190-179-300(360-322)289-144-132-265(337-289)120-108-96-84-72-60-48-36-24-12)234-199-228(198-233(202-234)239-211-249(274-153-165-309(346-274)320-188-177-298(358-320)287-142-130-263(335-287)118-106-94-82-70-58-46-34-22-10)219-250(212-239)275-154-166-310(347-275)321-189-178-299(359-321)288-143-131-264(336-288)119-107-95-83-71-59-47-35-23-11)225-192-223(226-194-229(235-203-241(266-145-157-301(338-266)312-180-169-290(350-312)279-134-122-255(327-279)110-98-86-74-62-50-38-26-14-2)215-242(204-235)267-146-158-302(339-267)313-181-170-291(351-313)280-135-123-256(328-280)111-99-87-75-63-51-39-27-15-3)200-230(195-226)236-205-243(268-147-159-303(340-268)314-182-171-292(352-314)281-136-124-257(329-281)112-100-88-76-64-52-40-28-16-4)216-244(206-236)269-148-160-304(341-269)315-183-172-293(353-315)282-137-125-258(330-282)113-101-89-77-65-53-41-29-17-5)191-224(193-225)227-196-231(237-207-245(270-149-161-305(342-270)316-184-173-294(354-316)283-138-126-259(331-283)114-102-90-78-66-54-42-30-18-6)217-246(208-237)271-150-162-306(343-271)317-185-174-295(355-317)284-139-127-260(332-284)115-103-91-79-67-55-43-31-19-7)201-232(197-227)238-209-247(272-151-163-307(344-272)318-186-175-296(356-318)285-140-128-261(333-285)116-104-92-80-68-56-44-32-20-8)218-248(210-238)273-152-164-308(345-273)319-187-176-297(357-319)286-141-129-262(334-286)117-105-93-81-69-57-45-33-21-9/h121-222H,13-120H2,1-12H3
InChIKeyGTOGWUBKXJFSDW-UHFFFAOYSA-N
XLogP123.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds153
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005402.81
LogP ≤ 5123.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene?
The IUPAC name of 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene (CID 58666500) is 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene?
The canonical SMILES for 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene is CCCCCCCCCCc1ccc(-c2csc(-c3ccc(-c4cc(-c5cc(-c6cc(-c7cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)c7)cc(-c7cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)cc(-c8cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)cc(-c9ccc(-c%10ccc(-c%11ccc(CCCCCCCCCC)s%11)s%10)s9)c8)c7)c6)cc(-c6cc(-c7ccc(-c8ccc(-c9ccc(CCCCCCCCCC)s9)s8)s7)cc(-c7ccc(-c8ccc(-c9ccc(CCCCCCCCCC)s9)s8)s7)c6)c5)cc(-c5ccc(-c6ccc(-c7ccc(CCCCCCCCCC)s7)s6)s5)c4)s3)c2)s1.
What is the InChIKey of 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene?
The InChIKey is GTOGWUBKXJFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C324H354S36/c1-13-25-37-49-61-73-85-97-109-254-121-133-278(326-254)253-221-324(325-222-253)323-168-156-277(349-323)252-214-240(213-251(220-252)276-155-167-311(348-276)322-190-179-300(360-322)289-144-132-265(337-289)120-108-96-84-72-60-48-36-24-12)234-199-228(198-233(202-234)239-211-249(274-153-165-309(346-274)320-188-177-298(358-320)287-142-130-263(335-287)118-106-94-82-70-58-46-34-22-10)219-250(212-239)275-154-166-310(347-275)321-189-178-299(359-321)288-143-131-264(336-288)119-107-95-83-71-59-47-35-23-11)225-192-223(226-194-229(235-203-241(266-145-157-301(338-266)312-180-169-290(350-312)279-134-122-255(327-279)110-98-86-74-62-50-38-26-14-2)215-242(204-235)267-146-158-302(339-267)313-181-170-291(351-313)280-135-123-256(328-280)111-99-87-75-63-51-39-27-15-3)200-230(195-226)236-205-243(268-147-159-303(340-268)314-182-171-292(352-314)281-136-124-257(329-281)112-100-88-76-64-52-40-28-16-4)216-244(206-236)269-148-160-304(341-269)315-183-172-293(353-315)282-137-125-258(330-282)113-101-89-77-65-53-41-29-17-5)191-224(193-225)227-196-231(237-207-245(270-149-161-305(342-270)316-184-173-294(354-316)283-138-126-259(331-283)114-102-90-78-66-54-42-30-18-6)217-246(208-237)271-150-162-306(343-271)317-185-174-295(355-317)284-139-127-260(332-284)115-103-91-79-67-55-43-31-19-7)201-232(197-227)238-209-247(272-151-163-307(344-272)318-186-175-296(356-318)285-140-128-261(333-285)116-104-92-80-68-56-44-32-20-8)218-248(210-238)273-152-164-308(345-273)319-187-176-297(357-319)286-141-129-262(334-286)117-105-93-81-69-57-45-33-21-9/h121-222H,13-120H2,1-12H3.
What are the key properties of 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene?
2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene has a molecular weight of 5402.81 g/mol, XLogP of 123.11, 153 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[3-[3,5-bis[3,5-bis[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]phenyl]-5-[3,5-bis[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-5-[5-[5-(5-decylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-4-(5-decylthiophen-2-yl)thiophene is sourced from PubChem (CID 58666500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).