7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine

C60H58N2 — CID 164948696

IUPAC7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C5CCCCC5)ccc3-4)c3ccc4c(c3)c3ccc(C5CCCCC5)cc3n4-c3ccccc3)cc21
InChIInChI=1S/C60H58N2/c1-59(2)53-23-15-14-22-47(53)49-31-26-45(37-55(49)59)61(46-27-32-50-48-29-24-41(39-16-8-5-9-17-39)34-54(48)60(3,4)56(50)38-46)44-28-33-57-52(36-44)51-30-25-42(40-18-10-6-11-19-40)35-58(51)62(57)43-20-12-7-13-21-43/h7,12-15,20-40H,5-6,8-11,16-19H2,1-4H3
InChIKeyQSVROBKSQAPBBC-UHFFFAOYSA-N
MW807.14 g/mol
LogP16.96
Rot. Bonds6

About 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(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 (PubChem CID 164948696) has the molecular formula C60H58N2 and a molecular weight of 807.14 g/mol. Its IUPAC name is 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
PubChem CID164948696
Molecular FormulaC60H58N2
Molecular Weight807.14 g/mol
Exact Mass806.46
IUPAC Name7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C5CCCCC5)ccc3-4)c3ccc4c(c3)c3ccc(C5CCCCC5)cc3n4-c3ccccc3)cc21
InChIInChI=1S/C60H58N2/c1-59(2)53-23-15-14-22-47(53)49-31-26-45(37-55(49)59)61(46-27-32-50-48-29-24-41(39-16-8-5-9-17-39)34-54(48)60(3,4)56(50)38-46)44-28-33-57-52(36-44)51-30-25-42(40-18-10-6-11-19-40)35-58(51)62(57)43-20-12-7-13-21-43/h7,12-15,20-40H,5-6,8-11,16-19H2,1-4H3
InChIKeyQSVROBKSQAPBBC-UHFFFAOYSA-N
XLogP16.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.14
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
CID 164955639
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646
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-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
CID 165059639
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-2,5-diphenylindeno[1,2-c]carbazol-10-amine
CID 170543277
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
CID 168811896
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine (CID 164948696) is 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C5CCCCC5)ccc3-4)c3ccc4c(c3)c3ccc(C5CCCCC5)cc3n4-c3ccccc3)cc21.
What is the InChIKey of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The InChIKey is QSVROBKSQAPBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N2/c1-59(2)53-23-15-14-22-47(53)49-31-26-45(37-55(49)59)61(46-27-32-50-48-29-24-41(39-16-8-5-9-17-39)34-54(48)60(3,4)56(50)38-46)44-28-33-57-52(36-44)51-30-25-42(40-18-10-6-11-19-40)35-58(51)62(57)43-20-12-7-13-21-43/h7,12-15,20-40H,5-6,8-11,16-19H2,1-4H3.
What are the key properties of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(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 has a molecular weight of 807.14 g/mol, XLogP of 16.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 164948696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).