7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine

C53H44N2 — CID 164955639

IUPAC7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccc(C6CCCCC6)cc5n(-c5ccccc5)c4c3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H44N2/c1-53(2)48-24-14-13-22-43(48)44-29-26-39(33-49(44)53)54(50-32-37-17-9-10-20-41(37)42-21-11-12-23-45(42)50)40-27-30-47-46-28-25-36(35-15-5-3-6-16-35)31-51(46)55(52(47)34-40)38-18-7-4-8-19-38/h4,7-14,17-35H,3,5-6,15-16H2,1-2H3
InChIKeyUEEDDHOBZPRDGZ-UHFFFAOYSA-N
MW708.95 g/mol
LogP14.91
Rot. Bonds5

About 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine

7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine (PubChem CID 164955639) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
PubChem CID164955639
Molecular FormulaC53H44N2
Molecular Weight708.95 g/mol
Exact Mass708.35
IUPAC Name7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccc(C6CCCCC6)cc5n(-c5ccccc5)c4c3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H44N2/c1-53(2)48-24-14-13-22-43(48)44-29-26-39(33-49(44)53)54(50-32-37-17-9-10-20-41(37)42-21-11-12-23-45(42)50)40-27-30-47-46-28-25-36(35-15-5-3-6-16-35)31-51(46)55(52(47)34-40)38-18-7-4-8-19-38/h4,7-14,17-35H,3,5-6,15-16H2,1-2H3
InChIKeyUEEDDHOBZPRDGZ-UHFFFAOYSA-N
XLogP14.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
CID 165059639
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165008737
7-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 165095817
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 164774305
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
CID 168811896
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 168812030
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774478

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
The IUPAC name of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine (CID 164955639) is 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccc(C6CCCCC6)cc5n(-c5ccccc5)c4c3)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
The InChIKey is UEEDDHOBZPRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2/c1-53(2)48-24-14-13-22-43(48)44-29-26-39(33-49(44)53)54(50-32-37-17-9-10-20-41(37)42-21-11-12-23-45(42)50)40-27-30-47-46-28-25-36(35-15-5-3-6-16-35)31-51(46)55(52(47)34-40)38-18-7-4-8-19-38/h4,7-14,17-35H,3,5-6,15-16H2,1-2H3.
What are the key properties of 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine has a molecular weight of 708.95 g/mol, XLogP of 14.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 164955639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).