N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine

C55H35N3O — CID 176631204

IUPACN,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nc3ccc4ccc5c(-c6cccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)cc6ccccc6c5c4c3o2)cc1
InChIInChI=1S/C55H35N3O/c1-4-15-37(16-5-1)55-56-49-31-28-36-27-30-46-47(34-39-17-10-11-24-44(39)53(46)52(36)54(49)59-55)38-18-14-23-42(33-38)57(40-19-6-2-7-20-40)43-29-32-51-48(35-43)45-25-12-13-26-50(45)58(51)41-21-8-3-9-22-41/h1-35H
InChIKeySKOVSRVWCHYXLI-UHFFFAOYSA-N
MW753.91 g/mol
LogP15.19
Rot. Bonds6

About N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine

N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine (PubChem CID 176631204) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine
PubChem CID176631204
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC NameN,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nc3ccc4ccc5c(-c6cccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)cc6ccccc6c5c4c3o2)cc1
InChIInChI=1S/C55H35N3O/c1-4-15-37(16-5-1)55-56-49-31-28-36-27-30-46-47(34-39-17-10-11-24-44(39)53(46)52(36)54(49)59-55)38-18-14-23-42(33-38)57(40-19-6-2-7-20-40)43-29-32-51-48(35-43)45-25-12-13-26-50(45)58(51)41-21-8-3-9-22-41/h1-35H
InChIKeySKOVSRVWCHYXLI-UHFFFAOYSA-N
XLogP15.19
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631565
9,9-dimethyl-N-phenyl-7-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176631437
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 171410383
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 170410254
18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
1-N-[3-carbazol-9-yl-5-(N-phenylanilino)phenyl]-3-N,3-N,4-triphenyl-1-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171416962
N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112575
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129379

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine (CID 176631204) is N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine is c1ccc(-c2nc3ccc4ccc5c(-c6cccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)cc6ccccc6c5c4c3o2)cc1.
What is the InChIKey of N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine?
The InChIKey is SKOVSRVWCHYXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-15-37(16-5-1)55-56-49-31-28-36-27-30-46-47(34-39-17-10-11-24-44(39)53(46)52(36)54(49)59-55)38-18-14-23-42(33-38)57(40-19-6-2-7-20-40)43-29-32-51-48(35-43)45-25-12-13-26-50(45)58(51)41-21-8-3-9-22-41/h1-35H.
What are the key properties of N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine?
N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine has a molecular weight of 753.91 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 176631204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).