N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine

C40H26N2O — CID 129229876

IUPACN-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H26N2O/c1-2-12-29(13-3-1)41(32-21-20-27-10-4-5-11-28(27)26-32)30-22-24-31(25-23-30)42-35-16-8-15-34-33-14-6-7-18-37(33)43-38-19-9-17-36(42)40(38)39(34)35/h1-26H
InChIKeyZPKSCPHLHLBXEC-UHFFFAOYSA-N
MW550.66 g/mol
LogP11.31
Rot. Bonds4

About N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine

N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 129229876) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine
PubChem CID129229876
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC NameN-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H26N2O/c1-2-12-29(13-3-1)41(32-21-20-27-10-4-5-11-28(27)26-32)30-22-24-31(25-23-30)42-35-16-8-15-34-33-14-6-7-18-37(33)43-38-19-9-17-36(42)40(38)39(34)35/h1-26H
InChIKeyZPKSCPHLHLBXEC-UHFFFAOYSA-N
XLogP11.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164572
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155397954
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 157066296
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 155398374
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-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine (CID 129229876) is N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is ZPKSCPHLHLBXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-2-12-29(13-3-1)41(32-21-20-27-10-4-5-11-28(27)26-32)30-22-24-31(25-23-30)42-35-16-8-15-34-33-14-6-7-18-37(33)43-38-19-9-17-36(42)40(38)39(34)35/h1-26H.
What are the key properties of N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine?
N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 550.66 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 129229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).