N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

C59H36N2 — CID 134240913

IUPACN-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
SMILESc1ccc(N(c2cc3c4ccccc4n4c5ccccc5c(c2)c34)c2ccccc2-c2ccc3ccc4c(c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C59H36N2/c1-2-16-39(17-3-1)60(40-35-49-45-22-8-14-28-55(45)61-56-29-15-9-23-46(56)50(36-40)58(49)61)54-27-13-7-18-41(54)38-31-30-37-32-33-47-44-21-6-12-26-53(44)59(57(47)48(37)34-38)51-24-10-4-19-42(51)43-20-5-11-25-52(43)59/h1-36H
InChIKeySWIDUGXHBGFHGP-UHFFFAOYSA-N
MW772.95 g/mol
LogP15.47
Rot. Bonds4

About N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (PubChem CID 134240913) has the molecular formula C59H36N2 and a molecular weight of 772.95 g/mol. Its IUPAC name is N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
PubChem CID134240913
Molecular FormulaC59H36N2
Molecular Weight772.95 g/mol
Exact Mass772.29
IUPAC NameN-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
SMILESc1ccc(N(c2cc3c4ccccc4n4c5ccccc5c(c2)c34)c2ccccc2-c2ccc3ccc4c(c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C59H36N2/c1-2-16-39(17-3-1)60(40-35-49-45-22-8-14-28-55(45)61-56-29-15-9-23-46(56)50(36-40)58(49)61)54-27-13-7-18-41(54)38-31-30-37-32-33-47-44-21-6-12-26-53(44)59(57(47)48(37)34-38)51-24-10-4-19-42(51)43-20-5-11-25-52(43)59/h1-36H
InChIKeySWIDUGXHBGFHGP-UHFFFAOYSA-N
XLogP15.47
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine
CID 142283280
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine;N-naphthalen-1-yl-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
CID 157356224
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 165158458
N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
CID 135167354
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
CID 135167321
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 159598681
4-N,4-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-1-N,1-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,4-diamine
CID 163965613
N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118087622
N-phenyl-2-(4-phenylphenyl)-N-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135167059
N-phenyl-N-(2-triphenylen-2-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 167177250
N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
CID 167176272

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
The IUPAC name of N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (CID 134240913) is N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.
What is the SMILES notation for N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
The canonical SMILES for N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is c1ccc(N(c2cc3c4ccccc4n4c5ccccc5c(c2)c34)c2ccccc2-c2ccc3ccc4c(c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
The InChIKey is SWIDUGXHBGFHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2/c1-2-16-39(17-3-1)60(40-35-49-45-22-8-14-28-55(45)61-56-29-15-9-23-46(56)50(36-40)58(49)61)54-27-13-7-18-41(54)38-31-30-37-32-33-47-44-21-6-12-26-53(44)59(57(47)48(37)34-38)51-24-10-4-19-42(51)43-20-5-11-25-52(43)59/h1-36H.
What are the key properties of N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?
N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine has a molecular weight of 772.95 g/mol, XLogP of 15.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is sourced from PubChem (CID 134240913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).