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

C55H35N3O — CID 176631565

IUPAC5-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
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c54)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C55H35N3O/c1-4-13-36(14-5-1)40-17-12-20-43(33-40)57(45-29-32-51-48(35-45)47-21-10-11-22-50(47)58(51)42-18-8-3-9-19-42)44-28-30-46-41(34-44)26-25-37-23-24-38-27-31-49-54(53(38)52(37)46)59-55(56-49)39-15-6-2-7-16-39/h1-35H
InChIKeyMEPZRDLBXBDWQH-UHFFFAOYSA-N
MW753.91 g/mol
LogP15.19
Rot. Bonds6

About 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

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 (PubChem CID 176631565) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID176631565
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name5-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
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c54)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C55H35N3O/c1-4-13-36(14-5-1)40-17-12-20-43(33-40)57(45-29-32-51-48(35-45)47-21-10-11-22-50(47)58(51)42-18-8-3-9-19-42)44-28-30-46-41(34-44)26-25-37-23-24-38-27-31-49-54(53(38)52(37)46)59-55(56-49)39-15-6-2-7-16-39/h1-35H
InChIKeyMEPZRDLBXBDWQH-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 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 with MolForge

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Related Compounds

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
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 171410383
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
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 170410254
5-phenyl-N-(4-phenylnaphthalen-1-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 176631654
N-(3-carbazol-9-ylphenyl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-6-amine
CID 177100472
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129379
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(N(c3ccc4c(ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c54)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is MEPZRDLBXBDWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-13-36(14-5-1)40-17-12-20-43(33-40)57(45-29-32-51-48(35-45)47-21-10-11-22-50(47)58(51)42-18-8-3-9-19-42)44-28-30-46-41(34-44)26-25-37-23-24-38-27-31-49-54(53(38)52(37)46)59-55(56-49)39-15-6-2-7-16-39/h1-35H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176631565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).