10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin

C65H43N7 — CID 101442381

IUPAC10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(-c4c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc4[nH]6)C=C5)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C65H43N7/c1-5-13-40(14-6-1)60-48-27-25-46(66-48)39-47-26-28-49(67-47)61(41-15-7-2-8-16-41)51-30-36-57(69-51)64(56-35-29-50(60)68-56)44-21-23-45(24-22-44)65-58-37-33-54(71-58)62(42-17-9-3-10-18-42)52-31-32-53(70-52)63(43-19-11-4-12-20-43)55-34-38-59(65)72-55/h1-39,66,69,71-72H/b46-39-,47-39-,60-48-,60-50-,61-49-,61-51-,62-52-,62-54-,63-53+,63-55+,64-56-,64-57-,65-58-,65-59-
InChIKeyCTQMSBVCMZGBDO-FLRWXCRISA-N
MW922.11 g/mol
LogP16.62
Rot. Bonds6

About 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin

10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin (PubChem CID 101442381) has the molecular formula C65H43N7 and a molecular weight of 922.11 g/mol. Its IUPAC name is 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
PubChem CID101442381
Molecular FormulaC65H43N7
Molecular Weight922.11 g/mol
Exact Mass921.36
IUPAC Name10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(-c4c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc4[nH]6)C=C5)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C65H43N7/c1-5-13-40(14-6-1)60-48-27-25-46(66-48)39-47-26-28-49(67-47)61(41-15-7-2-8-16-41)51-30-36-57(69-51)64(56-35-29-50(60)68-56)44-21-23-45(24-22-44)65-58-37-33-54(71-58)62(42-17-9-3-10-18-42)52-31-32-53(70-52)63(43-19-11-4-12-20-43)55-34-38-59(65)72-55/h1-39,66,69,71-72H/b46-39-,47-39-,60-48-,60-50-,61-49-,61-51-,62-52-,62-54-,63-53+,63-55+,64-56-,64-57-,65-58-,65-59-
InChIKeyCTQMSBVCMZGBDO-FLRWXCRISA-N
XLogP16.62
TPSA101.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.11
LogP ≤ 516.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
CID 135513055
5-[10,20-bis(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]-10,20-bis(2-phenylethynyl)-15-[4-[10,15,20-tris(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102356047
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243

Frequently Asked Questions

What is the IUPAC name of 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin?
The IUPAC name of 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin (CID 101442381) is 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin is C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(-c4c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc4[nH]6)C=C5)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin?
The InChIKey is CTQMSBVCMZGBDO-FLRWXCRISA-N. The full InChI is InChI=1S/C65H43N7/c1-5-13-40(14-6-1)60-48-27-25-46(66-48)39-47-26-28-49(67-47)61(41-15-7-2-8-16-41)51-30-36-57(69-51)64(56-35-29-50(60)68-56)44-21-23-45(24-22-44)65-58-37-33-54(71-58)62(42-17-9-3-10-18-42)52-31-32-53(70-52)63(43-19-11-4-12-20-43)55-34-38-59(65)72-55/h1-39,66,69,71-72H/b46-39-,47-39-,60-48-,60-50-,61-49-,61-51-,62-52-,62-54-,63-53+,63-55+,64-56-,64-57-,65-58-,65-59-.
What are the key properties of 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin?
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin has a molecular weight of 922.11 g/mol, XLogP of 16.62, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 101442381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).