2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine

C56H47N3 — CID 139496510

IUPAC2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine
SMILESCCn1c2ccccc2c2c(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C56H47N3/c1-6-57-51-28-18-15-25-45(51)54-52(57)35-41(58(37-19-9-7-10-20-37)40-29-31-44-42-23-13-16-26-47(42)56(4,5)50(44)34-40)36-53(54)59(38-21-11-8-12-22-38)39-30-32-49-46(33-39)43-24-14-17-27-48(43)55(49,2)3/h7-36H,6H2,1-5H3
InChIKeyVSFWHRATVCXDSD-UHFFFAOYSA-N
MW762.01 g/mol
LogP15.37
Rot. Bonds7

About 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine

2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine (PubChem CID 139496510) has the molecular formula C56H47N3 and a molecular weight of 762.01 g/mol. Its IUPAC name is 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine
PubChem CID139496510
Molecular FormulaC56H47N3
Molecular Weight762.01 g/mol
Exact Mass761.38
IUPAC Name2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine
SMILESCCn1c2ccccc2c2c(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C56H47N3/c1-6-57-51-28-18-15-25-45(51)54-52(57)35-41(58(37-19-9-7-10-20-37)40-29-31-44-42-23-13-16-26-47(42)56(4,5)50(44)34-40)36-53(54)59(38-21-11-8-12-22-38)39-30-32-49-46(33-39)43-24-14-17-27-48(43)55(49,2)3/h7-36H,6H2,1-5H3
InChIKeyVSFWHRATVCXDSD-UHFFFAOYSA-N
XLogP15.37
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyl-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 139496524
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,9-triphenylcarbazole-2,4-diamine;4-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-N,2-N,4-N,9-tetraphenylcarbazole-2,4-diamine;4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,9-triphenylcarbazol-2-amine
CID 161246541
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
CID 154965954
4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965960
2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
CID 170410184
2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
CID 170410631
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylphenanthrene-1,3-diamine
CID 162490122
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
4-N,4-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-1-N,1-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,4-diamine
CID 163965613
11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine
CID 161187599

Frequently Asked Questions

What is the IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine (CID 139496510) is 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine is CCn1c2ccccc2c2c(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine?
The InChIKey is VSFWHRATVCXDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N3/c1-6-57-51-28-18-15-25-45(51)54-52(57)35-41(58(37-19-9-7-10-20-37)40-29-31-44-42-23-13-16-26-47(42)56(4,5)50(44)34-40)36-53(54)59(38-21-11-8-12-22-38)39-30-32-49-46(33-39)43-24-14-17-27-48(43)55(49,2)3/h7-36H,6H2,1-5H3.
What are the key properties of 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine?
2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine has a molecular weight of 762.01 g/mol, XLogP of 15.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine is sourced from PubChem (CID 139496510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).