2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine

C444H296N14 — CID 58114876

About 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine

2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine (PubChem CID 58114876) has the molecular formula C444H296N14 and a molecular weight of 5827.35 g/mol. Its IUPAC name is 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine.

Molecular Properties

• Compound Name: 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine
• PubChem CID: 58114876
• Molecular Formula: C444H296N14
• Molecular Weight: 5827.35 g/mol
• Exact Mass: 5822.36
• IUPAC Name: 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine
• SMILES: CCc1ccc(-c2cc(-c3ccccn3)c(-c3ccc(-c4cc(-c5ccccn5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c4-c4ccccn4)cc3)c(-c3ccc(-c4cc(-c5ccccn5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c4-c4ccccn4)cc3)c2-c2ccccn2)cc1
• InChI: InChI=1S/C444H296N14/c1-2-294-205-207-303(208-206-294)372-287-379(386-191-99-113-265-445-386)420(346-245-217-314(218-246-346)375-290-382(389-194-102-116-268-448-389)421(347-247-219-312(220-248-347)373-288-380(387-192-100-114-266-446-387)416(342-237-209-304(210-238-342)364-279-356(295-127-35-3-36-128-295)400(318-143-51-11-52-144-318)423(334-175-83-27-84-176-334)408(364)326-159-67-19-68-160-326)432(439(373)394-199-107-121-273-453-394)349-251-223-308(224-252-349)368-283-360(299-135-43-7-44-136-299)404(322-151-59-15-60-152-322)427(338-183-91-31-92-184-338)412(368)330-167-75-23-76-168-330)436(441(375)396-201-109-123-275-455-396)354-261-233-316(234-262-354)376-291-383(390-195-103-117-269-449-390)418(344-241-213-306(214-242-344)366-281-358(297-131-39-5-40-132-297)402(320-147-55-13-56-148-320)425(336-179-87-29-88-180-336)410(366)328-163-71-21-72-164-328)434(442(376)397-202-110-124-276-456-397)351-255-227-310(228-256-351)370-285-362(301-139-47-9-48-140-301)406(324-155-63-17-64-156-324)429(340-187-95-33-96-188-340)414(370)332-171-79-25-80-172-332)431(438(372)393-198-106-120-272-452-393)353-259-231-315(232-260-353)378-293-385(392-197-105-119-271-451-392)422(348-249-221-313(222-250-348)374-289-381(388-193-101-115-267-447-388)417(343-239-211-305(212-240-343)365-280-357(296-129-37-4-38-130-296)401(319-145-53-12-54-146-319)424(335-177-85-28-86-178-335)409(365)327-161-69-20-70-162-327)433(440(374)395-200-108-122-274-454-395)350-253-225-309(226-254-350)369-284-361(300-137-45-8-46-138-300)405(323-153-61-16-62-154-323)428(339-185-93-32-94-186-339)413(369)331-169-77-24-78-170-331)437(444(378)399-204-112-126-278-458-399)355-263-235-317(236-264-355)377-292-384(391-196-104-118-270-450-391)419(345-243-215-307(216-244-345)367-282-359(298-133-41-6-42-134-298)403(321-149-57-14-58-150-321)426(337-181-89-30-90-182-337)411(367)329-165-73-22-74-166-329)435(443(377)398-203-111-125-277-457-398)352-257-229-311(230-258-352)371-286-363(302-141-49-10-50-142-302)407(325-157-65-18-66-158-325)430(341-189-97-34-98-190-341)415(371)333-173-81-26-82-174-333/h3-293H,2H2,1H3
• InChIKey: FUJGJUKLNCDYNH-UHFFFAOYSA-N
• XLogP: 118.80
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 76
• Heavy Atoms: 458
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5827.35
LogP ≤ 5	118.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine?

The IUPAC name of 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine (CID 58114876) is 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine.

What is the SMILES notation for 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine?

The canonical SMILES for 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine is CCc1ccc(-c2cc(-c3ccccn3)c(-c3ccc(-c4cc(-c5ccccn5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c4-c4ccccn4)cc3)c(-c3ccc(-c4cc(-c5ccccn5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c(-c5ccc(-c6cc(-c7ccccn7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c6-c6ccccn6)cc5)c4-c4ccccn4)cc3)c2-c2ccccn2)cc1.

What is the InChIKey of 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine?

The InChIKey is FUJGJUKLNCDYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C444H296N14/c1-2-294-205-207-303(208-206-294)372-287-379(386-191-99-113-265-445-386)420(346-245-217-314(218-246-346)375-290-382(389-194-102-116-268-448-389)421(347-247-219-312(220-248-347)373-288-380(387-192-100-114-266-446-387)416(342-237-209-304(210-238-342)364-279-356(295-127-35-3-36-128-295)400(318-143-51-11-52-144-318)423(334-175-83-27-84-176-334)408(364)326-159-67-19-68-160-326)432(439(373)394-199-107-121-273-453-394)349-251-223-308(224-252-349)368-283-360(299-135-43-7-44-136-299)404(322-151-59-15-60-152-322)427(338-183-91-31-92-184-338)412(368)330-167-75-23-76-168-330)436(441(375)396-201-109-123-275-455-396)354-261-233-316(234-262-354)376-291-383(390-195-103-117-269-449-390)418(344-241-213-306(214-242-344)366-281-358(297-131-39-5-40-132-297)402(320-147-55-13-56-148-320)425(336-179-87-29-88-180-336)410(366)328-163-71-21-72-164-328)434(442(376)397-202-110-124-276-456-397)351-255-227-310(228-256-351)370-285-362(301-139-47-9-48-140-301)406(324-155-63-17-64-156-324)429(340-187-95-33-96-188-340)414(370)332-171-79-25-80-172-332)431(438(372)393-198-106-120-272-452-393)353-259-231-315(232-260-353)378-293-385(392-197-105-119-271-451-392)422(348-249-221-313(222-250-348)374-289-381(388-193-101-115-267-447-388)417(343-239-211-305(212-240-343)365-280-357(296-129-37-4-38-130-296)401(319-145-53-12-54-146-319)424(335-177-85-28-86-178-335)409(365)327-161-69-20-70-162-327)433(440(374)395-200-108-122-274-454-395)350-253-225-309(226-254-350)369-284-361(300-137-45-8-46-138-300)405(323-153-61-16-62-154-323)428(339-185-93-32-94-186-339)413(369)331-169-77-24-78-170-331)437(444(378)399-204-112-126-278-458-399)355-263-235-317(236-264-355)377-292-384(391-196-104-118-270-450-391)419(345-243-215-307(216-244-345)367-282-359(298-133-41-6-42-134-298)403(321-149-57-14-58-150-321)426(337-181-89-30-90-182-337)411(367)329-165-73-22-74-166-329)435(443(377)398-203-111-125-277-457-398)352-257-229-311(230-258-352)371-286-363(302-141-49-10-50-142-302)407(325-157-65-18-66-158-325)430(341-189-97-34-98-190-341)415(371)333-173-81-26-82-174-333/h3-293H,2H2,1H3.

What are the key properties of 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine?

2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine has a molecular weight of 5827.35 g/mol, XLogP of 118.80, 76 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-bis[4-[3,4-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-5-(4-ethylphenyl)-4-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 58114876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).