Question 1

What is the IUPAC name of 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin?

Accepted Answer

The IUPAC name of 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin (CID 169321841) is 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin.

Question 2

What is the SMILES notation for 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin?

Accepted Answer

The canonical SMILES for 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin is CC(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(c5ccc(-c6c7nc(c(-c8ccc(C(C)C)cc8)c8ccc([nH]8)c(-c8ccc(C(C)C)cc8)c8nc(c(-c9ccc(C(C)C)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)c5ccc(-c6c7nc(c(-c8ccc(C(c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)cc8)c8ccc([nH]8)c(-c8ccc(C(c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)cc8)c8nc(c(-c9ccc(C(c%10ccc(-c%11c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc([nH]%13)c(-c%13ccc(C(C)C)cc%13)c%13nc(c(-c%14ccc(C(C)C)cc%14)c%14ccc%11[nH]%14)C=C%13)C=C%12)cc%10)c%10ccc(-c%11c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc([nH]%13)c(-c%13ccc(C(C)C)cc%13)c%13nc(c(-c%14ccc(C(C)C)cc%14)c%14ccc%11[nH]%14)C=C%13)C=C%12)cc%10)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4)c4nc(c(-c5ccc(C(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

Question 3

What is the InChIKey of 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin?

Accepted Answer

The InChIKey is FOEBQFDMSARXKL-JTKWOXLESA-N. The full InChI is InChI=1S/C472H406N36/c1-265(2)289-49-97-325(98-50-289)437-361-193-209-377(473-361)445(333-113-65-297(66-114-333)273(17)18)393-225-241-409(489-393)461(410-242-226-394(490-410)446(378-210-194-362(437)474-378)334-115-67-298(68-116-334)274(19)20)349-169-145-313(146-170-349)433(314-147-171-350(172-148-314)462-411-243-227-395(491-411)447(335-117-69-299(70-118-335)275(21)22)379-211-195-363(475-379)438(326-99-51-290(52-100-326)266(3)4)364-196-212-380(476-364)448(396-228-244-412(462)492-396)336-119-71-300(72-120-336)276(23)24)321-161-185-357(186-162-321)469-425-257-259-427(505-425)470(358-187-163-322(164-188-358)434(315-149-173-351(174-150-315)463-413-245-229-397(493-413)449(337-121-73-301(74-122-337)277(25)26)381-213-197-365(477-381)439(327-101-53-291(54-102-327)267(5)6)366-198-214-382(478-366)450(398-230-246-414(463)494-398)338-123-75-302(76-124-338)278(27)28)316-151-175-352(176-152-316)464-415-247-231-399(495-415)451(339-125-77-303(78-126-339)279(29)30)383-215-199-367(479-383)440(328-103-55-292(56-104-328)268(7)8)368-200-216-384(480-368)452(400-232-248-416(464)496-400)340-127-79-304(80-128-340)280(31)32)429-261-263-431(507-429)472(360-191-167-324(168-192-360)436(319-157-181-355(182-158-319)467-421-253-237-405(501-421)457(345-137-89-309(90-138-345)285(41)42)389-221-205-373(485-389)443(331-109-61-295(62-110-331)271(13)14)374-206-222-390(486-374)458(406-238-254-422(467)502-406)346-139-91-310(92-140-346)286(43)44)320-159-183-356(184-160-320)468-423-255-239-407(503-423)459(347-141-93-311(94-142-347)287(45)46)391-223-207-375(487-391)444(332-111-63-296(64-112-332)272(15)16)376-208-224-392(488-376)460(408-240-256-424(468)504-408)348-143-95-312(96-144-348)288(47)48)432-264-262-430(508-432)471(428-260-258-426(469)506-428)359-189-165-323(166-190-359)435(317-153-177-353(178-154-317)465-417-249-233-401(497-417)453(341-129-81-305(82-130-341)281(33)34)385-217-201-369(481-385)441(329-105-57-293(58-106-329)269(9)10)370-202-218-386(482-370)454(402-234-250-418(465)498-402)342-131-83-306(84-132-342)282(35)36)318-155-179-354(180-156-318)466-419-251-235-403(499-419)455(343-133-85-307(86-134-343)283(37)38)387-219-203-371(483-387)442(330-107-59-294(60-108-330)270(11)12)372-204-220-388(484-372)456(404-236-252-420(466)500-404)344-135-87-308(88-136-344)284(39)40/h49-288,433-436,473,475,477,479,481,483,485,487,490,492,494,496,498,500,502,504-505,508H,1-48H3/b437-361-,437-362-,438-363-,438-364-,439-365-,439-366-,440-367-,440-368-,441-369-,441-370-,442-371-,442-372-,443-373-,443-374-,444-375-,444-376-,445-377-,445-393-,446-378-,446-394-,447-379-,447-395-,448-380-,448-396-,449-381-,449-397-,450-382-,450-398-,451-383-,451-399-,452-384-,452-400-,453-385-,453-401-,454-386-,454-402-,455-387-,455-403-,456-388-,456-404-,457-389-,457-405-,458-390-,458-406-,459-391-,459-407-,460-392-,460-408-,461-409-,461-410-,462-411-,462-412-,463-413-,463-414-,464-415-,464-416-,465-417-,465-418-,466-419-,466-420-,467-421-,467-422-,468-423-,468-424-,469-425-,469-426-,470-427-,470-429-,471-428-,471-430-,472-431-,472-432-.

Question 4

What are the key properties of 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin?

Accepted Answer

5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 6582.69 g/mol, XLogP of 128.10, 72 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 169321841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Rule	Value
MW ≤ 500	6582.69
LogP ≤ 5	128.10
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	18

5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin

About 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin

Molecular Properties

Lipinski Rule of Five

Analyze 5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin with MolForge

Related Compounds

Frequently Asked Questions

Compound Name	5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin
PubChem CID	169321841
Molecular Formula	C472H406N36
Molecular Weight	6582.69 g/mol
Exact Mass	6577.29
IUPAC Name	5,10,15,20-tetrakis[4-[bis[4-[10,15,20-tris(4-propan-2-ylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]phenyl]-21,23-dihydroporphyrin
SMILES	CC(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(c5ccc(-c6c7nc(c(-c8ccc(C(C)C)cc8)c8ccc([nH]8)c(-c8ccc(C(C)C)cc8)c8nc(c(-c9ccc(C(C)C)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)c5ccc(-c6c7nc(c(-c8ccc(C(c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)cc8)c8ccc([nH]8)c(-c8ccc(C(c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)c9ccc(-c%10c%11nc(c(-c%12ccc(C(C)C)cc%12)c%12ccc([nH]%12)c(-c%12ccc(C(C)C)cc%12)c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)cc9)cc8)c8nc(c(-c9ccc(C(c%10ccc(-c%11c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc([nH]%13)c(-c%13ccc(C(C)C)cc%13)c%13nc(c(-c%14ccc(C(C)C)cc%14)c%14ccc%11[nH]%14)C=C%13)C=C%12)cc%10)c%10ccc(-c%11c%12nc(c(-c%13ccc(C(C)C)cc%13)c%13ccc([nH]%13)c(-c%13ccc(C(C)C)cc%13)c%13nc(c(-c%14ccc(C(C)C)cc%14)c%14ccc%11[nH]%14)C=C%13)C=C%12)cc%10)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4)c4nc(c(-c5ccc(C(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChI	InChI=1S/C472H406N36/c1-265(2)289-49-97-325(98-50-289)437-361-193-209-377(473-361)445(333-113-65-297(66-114-333)273(17)18)393-225-241-409(489-393)461(410-242-226-394(490-410)446(378-210-194-362(437)474-378)334-115-67-298(68-116-334)274(19)20)349-169-145-313(146-170-349)433(314-147-171-350(172-148-314)462-411-243-227-395(491-411)447(335-117-69-299(70-118-335)275(21)22)379-211-195-363(475-379)438(326-99-51-290(52-100-326)266(3)4)364-196-212-380(476-364)448(396-228-244-412(462)492-396)336-119-71-300(72-120-336)276(23)24)321-161-185-357(186-162-321)469-425-257-259-427(505-425)470(358-187-163-322(164-188-358)434(315-149-173-351(174-150-315)463-413-245-229-397(493-413)449(337-121-73-301(74-122-337)277(25)26)381-213-197-365(477-381)439(327-101-53-291(54-102-327)267(5)6)366-198-214-382(478-366)450(398-230-246-414(463)494-398)338-123-75-302(76-124-338)278(27)28)316-151-175-352(176-152-316)464-415-247-231-399(495-415)451(339-125-77-303(78-126-339)279(29)30)383-215-199-367(479-383)440(328-103-55-292(56-104-328)268(7)8)368-200-216-384(480-368)452(400-232-248-416(464)496-400)340-127-79-304(80-128-340)280(31)32)429-261-263-431(507-429)472(360-191-167-324(168-192-360)436(319-157-181-355(182-158-319)467-421-253-237-405(501-421)457(345-137-89-309(90-138-345)285(41)42)389-221-205-373(485-389)443(331-109-61-295(62-110-331)271(13)14)374-206-222-390(486-374)458(406-238-254-422(467)502-406)346-139-91-310(92-140-346)286(43)44)320-159-183-356(184-160-320)468-423-255-239-407(503-423)459(347-141-93-311(94-142-347)287(45)46)391-223-207-375(487-391)444(332-111-63-296(64-112-332)272(15)16)376-208-224-392(488-376)460(408-240-256-424(468)504-408)348-143-95-312(96-144-348)288(47)48)432-264-262-430(508-432)471(428-260-258-426(469)506-428)359-189-165-323(166-190-359)435(317-153-177-353(178-154-317)465-417-249-233-401(497-417)453(341-129-81-305(82-130-341)281(33)34)385-217-201-369(481-385)441(329-105-57-293(58-106-329)269(9)10)370-202-218-386(482-370)454(402-234-250-418(465)498-402)342-131-83-306(84-132-342)282(35)36)318-155-179-354(180-156-318)466-419-251-235-403(499-419)455(343-133-85-307(86-134-343)283(37)38)387-219-203-371(483-387)442(330-107-59-294(60-108-330)270(11)12)372-204-220-388(484-372)456(404-236-252-420(466)500-404)344-135-87-308(88-136-344)284(39)40/h49-288,433-436,473,475,477,479,481,483,485,487,490,492,494,496,498,500,502,504-505,508H,1-48H3/b437-361-,437-362-,438-363-,438-364-,439-365-,439-366-,440-367-,440-368-,441-369-,441-370-,442-371-,442-372-,443-373-,443-374-,444-375-,444-376-,445-377-,445-393-,446-378-,446-394-,447-379-,447-395-,448-380-,448-396-,449-381-,449-397-,450-382-,450-398-,451-383-,451-399-,452-384-,452-400-,453-385-,453-401-,454-386-,454-402-,455-387-,455-403-,456-388-,456-404-,457-389-,457-405-,458-390-,458-406-,459-391-,459-407-,460-392-,460-408-,461-409-,461-410-,462-411-,462-412-,463-413-,463-414-,464-415-,464-416-,465-417-,465-418-,466-419-,466-420-,467-421-,467-422-,468-423-,468-424-,469-425-,469-426-,470-427-,470-429-,471-428-,471-430-,472-431-,472-432-
InChIKey	FOEBQFDMSARXKL-JTKWOXLESA-N
XLogP	128.10
TPSA	516.24 Å²
H-Bond Donors	18
H-Bond Acceptors	18
Rotatable Bonds	72
Heavy Atoms	508
Complexity	—