N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine

C56H36N2O — CID 148903571

IUPACN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)38-23-29-44(30-24-38)57(52-36-42-16-8-10-20-47(42)55-54-46-19-9-7-15-40(46)28-34-53(54)59-56(52)55)45-31-25-39(26-32-45)41-27-33-49-48-21-11-12-22-50(48)58(51(49)35-41)43-17-5-2-6-18-43/h1-36H
InChIKeyPHGJKVJUWBJFSI-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine (PubChem CID 148903571) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
PubChem CID148903571
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)38-23-29-44(30-24-38)57(52-36-42-16-8-10-20-47(42)55-54-46-19-9-7-15-40(46)28-34-53(54)59-56(52)55)45-31-25-39(26-32-45)41-27-33-49-48-21-11-12-22-50(48)58(51(49)35-41)43-17-5-2-6-18-43/h1-36H
InChIKeyPHGJKVJUWBJFSI-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine with MolForge

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Related Compounds

N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 149125830
8-(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795939
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796125
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 153468543
N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 153468619
N-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170034060
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
CID 167277099

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine (CID 148903571) is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?
The InChIKey is PHGJKVJUWBJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-13-37(14-4-1)38-23-29-44(30-24-38)57(52-36-42-16-8-10-20-47(42)55-54-46-19-9-7-15-40(46)28-34-53(54)59-56(52)55)45-31-25-39(26-32-45)41-27-33-49-48-21-11-12-22-50(48)58(51(49)35-41)43-17-5-2-6-18-43/h1-36H.
What are the key properties of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine is sourced from PubChem (CID 148903571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).