N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine

C64H46N2 — CID 126605201

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C64H46N2/c1-63(2)57-27-15-12-24-51(57)53-38-35-50(42-59(53)63)65(49-36-39-62-56(41-49)55-26-14-17-29-61(55)66(62)47-22-10-5-11-23-47)48-33-30-43(31-34-48)44-32-37-54-52-25-13-16-28-58(52)64(60(54)40-44,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-42H,1-2H3
InChIKeyGTWNFQHHROZLCV-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.59
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126605201) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126605201
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C64H46N2/c1-63(2)57-27-15-12-24-51(57)53-38-35-50(42-59(53)63)65(49-36-39-62-56(41-49)55-26-14-17-29-61(55)66(62)47-22-10-5-11-23-47)48-33-30-43(31-34-48)44-32-37-54-52-25-13-16-28-58(52)64(60(54)40-44,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-42H,1-2H3
InChIKeyGTWNFQHHROZLCV-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,9-diphenylcarbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157289392
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
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
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;methane
CID 159335093
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;methane;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162012956
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;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
CID 162087677
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334138
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391609
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine (CID 126605201) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is GTWNFQHHROZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)57-27-15-12-24-51(57)53-38-35-50(42-59(53)63)65(49-36-39-62-56(41-49)55-26-14-17-29-61(55)66(62)47-22-10-5-11-23-47)48-33-30-43(31-34-48)44-32-37-54-52-25-13-16-28-58(52)64(60(54)40-44,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-42H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 843.09 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126605201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).