N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine

C78H64N4 — CID 163700429

IUPACN-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4C3CCCCC3n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)ccc21
InChIInChI=1S/C78H64N4/c1-77(2)68-30-16-12-26-60(68)64-47-55(40-44-69(64)77)80(54-37-35-52(36-38-54)51-21-7-5-8-22-51)57-42-46-74-66(49-57)63-28-14-18-32-72(63)82(74)76-34-20-19-33-75(76)81-71-31-17-13-27-62(71)65-48-56(41-45-73(65)81)79(53-23-9-6-10-24-53)58-39-43-61-59-25-11-15-29-67(59)78(3,4)70(61)50-58/h5-18,21-32,35-50,75-76H,19-20,33-34H2,1-4H3
InChIKeyKAMWTLSSMWZLGV-UHFFFAOYSA-N
MW1057.40 g/mol
LogP21.48
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine (PubChem CID 163700429) has the molecular formula C78H64N4 and a molecular weight of 1057.40 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine
PubChem CID163700429
Molecular FormulaC78H64N4
Molecular Weight1057.40 g/mol
Exact Mass1056.51
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4C3CCCCC3n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)ccc21
InChIInChI=1S/C78H64N4/c1-77(2)68-30-16-12-26-60(68)64-47-55(40-44-69(64)77)80(54-37-35-52(36-38-54)51-21-7-5-8-22-51)57-42-46-74-66(49-57)63-28-14-18-32-72(63)82(74)76-34-20-19-33-75(76)81-71-31-17-13-27-62(71)65-48-56(41-45-73(65)81)79(53-23-9-6-10-24-53)58-39-43-61-59-25-11-15-29-67(59)78(3,4)70(61)50-58/h5-18,21-32,35-50,75-76H,19-20,33-34H2,1-4H3
InChIKeyKAMWTLSSMWZLGV-UHFFFAOYSA-N
XLogP21.48
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.40
LogP ≤ 521.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine with MolForge

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Related Compounds

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
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
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
6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 159916730
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine (CID 163700429) is N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4C3CCCCC3n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine?
The InChIKey is KAMWTLSSMWZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H64N4/c1-77(2)68-30-16-12-26-60(68)64-47-55(40-44-69(64)77)80(54-37-35-52(36-38-54)51-21-7-5-8-22-51)57-42-46-74-66(49-57)63-28-14-18-32-72(63)82(74)76-34-20-19-33-75(76)81-71-31-17-13-27-62(71)65-48-56(41-45-73(65)81)79(53-23-9-6-10-24-53)58-39-43-61-59-25-11-15-29-67(59)78(3,4)70(61)50-58/h5-18,21-32,35-50,75-76H,19-20,33-34H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine has a molecular weight of 1057.40 g/mol, XLogP of 21.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine is sourced from PubChem (CID 163700429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).