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

C64H44N2 — CID 170690174

IUPAC9-(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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)cc12
InChIInChI=1S/C64H44N2/c1-63(2)53-25-13-10-23-50(53)61-56(63)36-37-57-62(61)51-24-11-15-27-55(51)64(57)54-26-14-9-21-47(54)48-35-33-46(40-58(48)64)66-59-28-16-12-22-49(59)52-39-45(34-38-60(52)66)65(43-19-7-4-8-20-43)44-31-29-42(30-32-44)41-17-5-3-6-18-41/h3-40H,1-2H3
InChIKeyICWYACIDPKQUQR-UHFFFAOYSA-N
MW841.07 g/mol
LogP16.57
Rot. Bonds5

About 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

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 (PubChem CID 170690174) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID170690174
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name9-(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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)cc12
InChIInChI=1S/C64H44N2/c1-63(2)53-25-13-10-23-50(53)61-56(63)36-37-57-62(61)51-24-11-15-27-55(51)64(57)54-26-14-9-21-47(54)48-35-33-46(40-58(48)64)66-59-28-16-12-22-49(59)52-39-45(34-38-60(52)66)65(43-19-7-4-8-20-43)44-31-29-42(30-32-44)41-17-5-3-6-18-41/h3-40H,1-2H3
InChIKeyICWYACIDPKQUQR-UHFFFAOYSA-N
XLogP16.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167117957
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532
9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 159685688
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
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-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
3-[4-(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)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)cc12.
What is the InChIKey of 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?
The InChIKey is ICWYACIDPKQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-63(2)53-25-13-10-23-50(53)61-56(63)36-37-57-62(61)51-24-11-15-27-55(51)64(57)54-26-14-9-21-47(54)48-35-33-46(40-58(48)64)66-59-28-16-12-22-49(59)52-39-45(34-38-60(52)66)65(43-19-7-4-8-20-43)44-31-29-42(30-32-44)41-17-5-3-6-18-41/h3-40H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 841.07 g/mol, XLogP of 16.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170690174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).