1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine

C56H39N3 — CID 157300261

IUPAC1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(ccc5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)cc2)cc1
InChIInChI=1S/C56H39N3/c1-5-15-40(16-6-1)41-27-29-47(30-28-41)58(49-33-31-48(32-34-49)57(44-17-7-2-8-18-44)45-19-9-3-10-20-45)50-35-36-51-42(37-50)25-26-43-38-54-52-23-13-14-24-55(52)59(56(54)39-53(43)51)46-21-11-4-12-22-46/h1-39H
InChIKeySNCFCFNHFIPHCL-UHFFFAOYSA-N
MW753.95 g/mol
LogP15.70
Rot. Bonds8

About 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 157300261) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID157300261
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(ccc5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)cc2)cc1
InChIInChI=1S/C56H39N3/c1-5-15-40(16-6-1)41-27-29-47(30-28-41)58(49-33-31-48(32-34-49)57(44-17-7-2-8-18-44)45-19-9-3-10-20-45)50-35-36-51-42(37-50)25-26-43-38-54-52-23-13-14-24-55(52)59(56(54)39-53(43)51)46-21-11-4-12-22-46/h1-39H
InChIKeySNCFCFNHFIPHCL-UHFFFAOYSA-N
XLogP15.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 157300261) is 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(ccc5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)cc2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is SNCFCFNHFIPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-5-15-40(16-6-1)41-27-29-47(30-28-41)58(49-33-31-48(32-34-49)57(44-17-7-2-8-18-44)45-19-9-3-10-20-45)50-35-36-51-42(37-50)25-26-43-38-54-52-23-13-14-24-55(52)59(56(54)39-53(43)51)46-21-11-4-12-22-46/h1-39H.
What are the key properties of 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine?
1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 753.95 g/mol, XLogP of 15.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 157300261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).