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

C50H32N2O — CID 149125830

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)34-23-26-38(27-24-34)51(39-28-29-43-42-21-11-12-22-44(42)52(45(43)32-39)37-17-5-2-6-18-37)46-31-36-16-8-10-20-41(36)49-48-40-19-9-7-15-35(40)25-30-47(48)53-50(46)49/h1-32H
InChIKeyRAWMVGNMSBSBPO-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About 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

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 (PubChem CID 149125830) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID149125830
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)34-23-26-38(27-24-34)51(39-28-29-43-42-21-11-12-22-44(42)52(45(43)32-39)37-17-5-2-6-18-37)46-31-36-16-8-10-20-41(36)49-48-40-19-9-7-15-35(40)25-30-47(48)53-50(46)49/h1-32H
InChIKeyRAWMVGNMSBSBPO-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
8-(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795939
N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796125
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
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-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
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-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170034060
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RAWMVGNMSBSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-13-33(14-4-1)34-23-26-38(27-24-34)51(39-28-29-43-42-21-11-12-22-44(42)52(45(43)32-39)37-17-5-2-6-18-37)46-31-36-16-8-10-20-41(36)49-48-40-19-9-7-15-35(40)25-30-47(48)53-50(46)49/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149125830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).