N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine

C52H33N3O2 — CID 155428439

IUPACN-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)cc4)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C52H33N3O2/c1-2-14-37(15-3-1)54-44-17-7-6-16-42(44)43-33-40(28-30-45(43)54)53(39-27-22-34-12-4-5-13-36(34)32-39)38-25-23-35(24-26-38)41-29-31-50-51-52(41)57-49-21-11-9-19-47(49)55(51)46-18-8-10-20-48(46)56-50/h1-33H
InChIKeyASVOGRCXXBEGJL-UHFFFAOYSA-N
MW731.86 g/mol
LogP14.75
Rot. Bonds5

About N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine

N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine (PubChem CID 155428439) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
PubChem CID155428439
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC NameN-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)cc4)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C52H33N3O2/c1-2-14-37(15-3-1)54-44-17-7-6-16-42(44)43-33-40(28-30-45(43)54)53(39-27-22-34-12-4-5-13-36(34)32-39)38-25-23-35(24-26-38)41-29-31-50-51-52(41)57-49-21-11-9-19-47(49)55(51)46-18-8-10-20-48(46)56-50/h1-33H
InChIKeyASVOGRCXXBEGJL-UHFFFAOYSA-N
XLogP14.75
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 158363283
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181394
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181411
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine (CID 155428439) is N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)cc4)c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is ASVOGRCXXBEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-2-14-37(15-3-1)54-44-17-7-6-16-42(44)43-33-40(28-30-45(43)54)53(39-27-22-34-12-4-5-13-36(34)32-39)38-25-23-35(24-26-38)41-29-31-50-51-52(41)57-49-21-11-9-19-47(49)55(51)46-18-8-10-20-48(46)56-50/h1-33H.
What are the key properties of N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine has a molecular weight of 731.86 g/mol, XLogP of 14.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 155428439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).