2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine

C65H56N2 — CID 139568403

IUPAC2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)ccc4cc2-3)cc1
InChIInChI=1S/C65H56N2/c1-5-17-45(18-6-1)47-29-34-53(35-30-47)66(51-21-9-3-10-22-51)55-38-33-49-42-60-59-40-39-56(67(52-23-11-4-12-24-52)54-36-31-48(32-37-54)46-19-7-2-8-20-46)44-64(59)65(63(60)43-50(49)41-55)61-27-15-13-25-57(61)58-26-14-16-28-62(58)65/h3-4,9-16,21-46H,1-2,5-8,17-20H2
InChIKeyQPKJVTHBVGGSHV-UHFFFAOYSA-N
MW865.18 g/mol
LogP18.22
Rot. Bonds8

About 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine

2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine (PubChem CID 139568403) has the molecular formula C65H56N2 and a molecular weight of 865.18 g/mol. Its IUPAC name is 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
PubChem CID139568403
Molecular FormulaC65H56N2
Molecular Weight865.18 g/mol
Exact Mass864.44
IUPAC Name2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)ccc4cc2-3)cc1
InChIInChI=1S/C65H56N2/c1-5-17-45(18-6-1)47-29-34-53(35-30-47)66(51-21-9-3-10-22-51)55-38-33-49-42-60-59-40-39-56(67(52-23-11-4-12-24-52)54-36-31-48(32-37-54)46-19-7-2-8-20-46)44-64(59)65(63(60)43-50(49)41-55)61-27-15-13-25-57(61)58-26-14-16-28-62(58)65/h3-4,9-16,21-46H,1-2,5-8,17-20H2
InChIKeyQPKJVTHBVGGSHV-UHFFFAOYSA-N
XLogP18.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.18
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032183
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine
CID 140738112
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
7-N',17-N'-diphenyl-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493907
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine (CID 139568403) is 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine is c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)ccc4cc2-3)cc1.
What is the InChIKey of 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine?
The InChIKey is QPKJVTHBVGGSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N2/c1-5-17-45(18-6-1)47-29-34-53(35-30-47)66(51-21-9-3-10-22-51)55-38-33-49-42-60-59-40-39-56(67(52-23-11-4-12-24-52)54-36-31-48(32-37-54)46-19-7-2-8-20-46)44-64(59)65(63(60)43-50(49)41-55)61-27-15-13-25-57(61)58-26-14-16-28-62(58)65/h3-4,9-16,21-46H,1-2,5-8,17-20H2.
What are the key properties of 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine?
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine has a molecular weight of 865.18 g/mol, XLogP of 18.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine is sourced from PubChem (CID 139568403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).