5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C83H60N4 — CID 59838816

IUPAC5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3c4c(c(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)c5ccccc35)-c3ccc5c6c(ccc-4c36)CCC5)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C83H60N4/c1-9-30-62(31-10-1)84(63-32-11-2-12-33-63)70-52-60(53-71(56-70)85(64-34-13-3-14-35-64)65-36-15-4-16-37-65)79-74-46-25-26-47-75(74)80(83-77-51-49-59-29-27-28-58-48-50-76(82(79)83)81(77)78(58)59)61-54-72(86(66-38-17-5-18-39-66)67-40-19-6-20-41-67)57-73(55-61)87(68-42-21-7-22-43-68)69-44-23-8-24-45-69/h1-26,30-57H,27-29H2
InChIKeyFBRWQDCQEZNQTD-UHFFFAOYSA-N
MW1113.42 g/mol
LogP23.34
Rot. Bonds14

About 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 59838816) has the molecular formula C83H60N4 and a molecular weight of 1113.42 g/mol. Its IUPAC name is 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID59838816
Molecular FormulaC83H60N4
Molecular Weight1113.42 g/mol
Exact Mass1112.48
IUPAC Name5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3c4c(c(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)c5ccccc35)-c3ccc5c6c(ccc-4c36)CCC5)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C83H60N4/c1-9-30-62(31-10-1)84(63-32-11-2-12-33-63)70-52-60(53-71(56-70)85(64-34-13-3-14-35-64)65-36-15-4-16-37-65)79-74-46-25-26-47-75(74)80(83-77-51-49-59-29-27-28-58-48-50-76(82(79)83)81(77)78(58)59)61-54-72(86(66-38-17-5-18-39-66)67-40-19-6-20-41-67)57-73(55-61)87(68-42-21-7-22-43-68)69-44-23-8-24-45-69/h1-26,30-57H,27-29H2
InChIKeyFBRWQDCQEZNQTD-UHFFFAOYSA-N
XLogP23.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.42
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

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Related Compounds

3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064457
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974
13,20-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032727
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169063469

Frequently Asked Questions

What is the IUPAC name of 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 59838816) is 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3c4c(c(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)c5ccccc35)-c3ccc5c6c(ccc-4c36)CCC5)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is FBRWQDCQEZNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H60N4/c1-9-30-62(31-10-1)84(63-32-11-2-12-33-63)70-52-60(53-71(56-70)85(64-34-13-3-14-35-64)65-36-15-4-16-37-65)79-74-46-25-26-47-75(74)80(83-77-51-49-59-29-27-28-58-48-50-76(82(79)83)81(77)78(58)59)61-54-72(86(66-38-17-5-18-39-66)67-40-19-6-20-41-67)57-73(55-61)87(68-42-21-7-22-43-68)69-44-23-8-24-45-69/h1-26,30-57H,27-29H2.
What are the key properties of 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 1113.42 g/mol, XLogP of 23.34, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[3,5-bis(N-phenylanilino)phenyl]-3-hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 59838816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).