9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine

C68H48N2 — CID 121391731

IUPAC9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESC=C1/C=C\C=C/Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-n3c4ccccc4c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc43)cc12
InChIInChI=1S/C68H48N2/c1-47-21-5-2-10-26-51-27-11-16-32-61(51)68(62-33-17-12-28-55(47)62)63-34-18-13-30-57(63)58-43-41-54(46-64(58)68)70-66-36-20-15-31-59(66)60-45-53(42-44-67(60)70)69(52-39-37-49(38-40-52)48-22-6-3-7-23-48)65-35-19-14-29-56(65)50-24-8-4-9-25-50/h2-25,27-46H,1,26H2/b10-2-,21-5-
InChIKeyUDRYPLATQKWQFV-LRVSGGMQSA-N
MW893.15 g/mol
LogP17.63
Rot. Bonds6

About 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine

9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 121391731) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID121391731
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESC=C1/C=C\C=C/Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-n3c4ccccc4c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc43)cc12
InChIInChI=1S/C68H48N2/c1-47-21-5-2-10-26-51-27-11-16-32-61(51)68(62-33-17-12-28-55(47)62)63-34-18-13-30-57(63)58-43-41-54(46-64(58)68)70-66-36-20-15-31-59(66)60-45-53(42-44-67(60)70)69(52-39-37-49(38-40-52)48-22-6-3-7-23-48)65-35-19-14-29-56(65)50-24-8-4-9-25-50/h2-25,27-46H,1,26H2/b10-2-,21-5-
InChIKeyUDRYPLATQKWQFV-LRVSGGMQSA-N
XLogP17.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-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

N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112713
9-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170690174
N-(4-carbazol-9-ylphenyl)-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]-2'-amine
CID 135166476
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine
CID 118442363
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 158875006

Frequently Asked Questions

What is the IUPAC name of 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine (CID 121391731) is 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine is C=C1/C=C\C=C/Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-n3c4ccccc4c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc43)cc12.
What is the InChIKey of 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is UDRYPLATQKWQFV-LRVSGGMQSA-N. The full InChI is InChI=1S/C68H48N2/c1-47-21-5-2-10-26-51-27-11-16-32-61(51)68(62-33-17-12-28-55(47)62)63-34-18-13-30-57(63)58-43-41-54(46-64(58)68)70-66-36-20-15-31-59(66)60-45-53(42-44-67(60)70)69(52-39-37-49(38-40-52)48-22-6-3-7-23-48)65-35-19-14-29-56(65)50-24-8-4-9-25-50/h2-25,27-46H,1,26H2/b10-2-,21-5-.
What are the key properties of 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine?
9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 893.15 g/mol, XLogP of 17.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 121391731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).