2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

C67H52N4O2 — CID 146553016

IUPAC2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCCn1c2ccccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccccc7n(CC)c6c5)ccc3-4)cc21
InChIInChI=1S/C67H52N4O2/c1-5-68-63-21-13-9-17-55(63)57-37-29-47(41-65(57)68)70(43-23-31-49(72-3)32-24-43)45-27-35-53-54-36-28-46(40-62(54)67(61(53)39-45)59-19-11-7-15-51(59)52-16-8-12-20-60(52)67)71(44-25-33-50(73-4)34-26-44)48-30-38-58-56-18-10-14-22-64(56)69(6-2)66(58)42-48/h7-42H,5-6H2,1-4H3
InChIKeyMLTJSXVFSPXMKG-UHFFFAOYSA-N
MW945.18 g/mol
LogP17.24
Rot. Bonds10

About 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 146553016) has the molecular formula C67H52N4O2 and a molecular weight of 945.18 g/mol. Its IUPAC name is 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID146553016
Molecular FormulaC67H52N4O2
Molecular Weight945.18 g/mol
Exact Mass944.41
IUPAC Name2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCCn1c2ccccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccccc7n(CC)c6c5)ccc3-4)cc21
InChIInChI=1S/C67H52N4O2/c1-5-68-63-21-13-9-17-55(63)57-37-29-47(41-65(57)68)70(43-23-31-49(72-3)32-24-43)45-27-35-53-54-36-28-46(40-62(54)67(61(53)39-45)59-19-11-7-15-51(59)52-16-8-12-20-60(52)67)71(44-25-33-50(73-4)34-26-44)48-30-38-58-56-18-10-14-22-64(56)69(6-2)66(58)42-48/h7-42H,5-6H2,1-4H3
InChIKeyMLTJSXVFSPXMKG-UHFFFAOYSA-N
XLogP17.24
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine
CID 146553281
2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-thioxanthene]-2,7-diamine
CID 146553755
2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)-9-sulfanylcarbazole-2,7-diamine
CID 142611571
2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine
CID 146553011
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
2-N',2-N',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine
CID 167156209
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
CID 118333317
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

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (CID 146553016) is 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is CCn1c2ccccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccccc7n(CC)c6c5)ccc3-4)cc21.
What is the InChIKey of 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is MLTJSXVFSPXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N4O2/c1-5-68-63-21-13-9-17-55(63)57-37-29-47(41-65(57)68)70(43-23-31-49(72-3)32-24-43)45-27-35-53-54-36-28-46(40-62(54)67(61(53)39-45)59-19-11-7-15-51(59)52-16-8-12-20-60(52)67)71(44-25-33-50(73-4)34-26-44)48-30-38-58-56-18-10-14-22-64(56)69(6-2)66(58)42-48/h7-42H,5-6H2,1-4H3.
What are the key properties of 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 945.18 g/mol, XLogP of 17.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 146553016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).