9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine

C58H44N2 — CID 155442064

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc(-c6ccccc6)cc5)C=CCC=C4)cc3)cc21
InChIInChI=1S/C58H44N2/c1-58(2)54-20-13-12-18-50(54)51-36-35-49(39-55(51)58)59(46-29-22-42(23-30-46)40-14-6-3-7-15-40)47-31-26-44(27-32-47)45-28-37-57-53(38-45)52-19-10-5-11-21-56(52)60(57)48-33-24-43(25-34-48)41-16-8-4-9-17-41/h3-4,6-39H,5H2,1-2H3
InChIKeyCWKBLXYTCDLANO-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.84
Rot. Bonds7

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine (PubChem CID 155442064) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine
PubChem CID155442064
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc(-c6ccccc6)cc5)C=CCC=C4)cc3)cc21
InChIInChI=1S/C58H44N2/c1-58(2)54-20-13-12-18-50(54)51-36-35-49(39-55(51)58)59(46-29-22-42(23-30-46)40-14-6-3-7-15-40)47-31-26-44(27-32-47)45-28-37-57-53(38-45)52-19-10-5-11-21-56(52)60(57)48-33-24-43(25-34-48)41-16-8-4-9-17-41/h3-4,6-39H,5H2,1-2H3
InChIKeyCWKBLXYTCDLANO-UHFFFAOYSA-N
XLogP15.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,6-triphenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 121445598
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
6-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylcarbazol-3-ol;ethane
CID 145348099
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90164114
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine (CID 155442064) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc(-c6ccccc6)cc5)C=CCC=C4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine?
The InChIKey is CWKBLXYTCDLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-58(2)54-20-13-12-18-50(54)51-36-35-49(39-55(51)58)59(46-29-22-42(23-30-46)40-14-6-3-7-15-40)47-31-26-44(27-32-47)45-28-37-57-53(38-45)52-19-10-5-11-21-56(52)60(57)48-33-24-43(25-34-48)41-16-8-4-9-17-41/h3-4,6-39H,5H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine has a molecular weight of 769.00 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 155442064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).