N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine

C65H50N2 — CID 155472317

IUPACN-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C65H50N2/c1-43-22-38-63-58(40-43)59-41-44(2)23-39-64(59)67(63)51-34-30-48(31-35-51)46-26-24-45(25-27-46)47-28-32-50(33-29-47)66(52-36-37-56-55-18-10-12-20-60(55)65(3,4)61(56)42-52)62-21-13-11-19-57(62)54-17-9-8-16-53(54)49-14-6-5-7-15-49/h5-42H,1-4H3
InChIKeyVSHOAAMUNIXTTC-UHFFFAOYSA-N
MW859.13 g/mol
LogP17.84
Rot. Bonds8

About N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine

N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 155472317) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID155472317
Molecular FormulaC65H50N2
Molecular Weight859.13 g/mol
Exact Mass858.40
IUPAC NameN-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C65H50N2/c1-43-22-38-63-58(40-43)59-41-44(2)23-39-64(59)67(63)51-34-30-48(31-35-51)46-26-24-45(25-27-46)47-28-32-50(33-29-47)66(52-36-37-56-55-18-10-12-20-60(55)65(3,4)61(56)42-52)62-21-13-11-19-57(62)54-17-9-8-16-53(54)49-14-6-5-7-15-49/h5-42H,1-4H3
InChIKeyVSHOAAMUNIXTTC-UHFFFAOYSA-N
XLogP17.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.13
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
9,9-dimethyl-N-[4-[6-(6-methyl-9-phenylcarbazol-3-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-ylfluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 160882230
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112907
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-7-[2-methyl-10-(2-phenylphenyl)anthracen-9-yl]-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-7-[3-methyl-10-(2-phenylphenyl)anthracen-9-yl]-N-phenylfluoren-2-amine
CID 160917287
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 159778200
N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158799608
N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-2-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 161254019
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 135163353

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 155472317) is N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is VSHOAAMUNIXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-43-22-38-63-58(40-43)59-41-44(2)23-39-64(59)67(63)51-34-30-48(31-35-51)46-26-24-45(25-27-46)47-28-32-50(33-29-47)66(52-36-37-56-55-18-10-12-20-60(55)65(3,4)61(56)42-52)62-21-13-11-19-57(62)54-17-9-8-16-53(54)49-14-6-5-7-15-49/h5-42H,1-4H3.
What are the key properties of N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine?
N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 859.13 g/mol, XLogP of 17.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155472317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).