4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine

C65H43N3 — CID 168775231

IUPAC4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cc4ccccc4c32)cc1
InChIInChI=1S/C65H43N3/c1-5-23-45(24-6-1)66(46-25-7-2-8-26-46)61-42-44-22-13-14-31-50(44)64-63(61)53-34-16-19-36-56(53)65(64)55-35-18-15-33-52(55)62-57(65)37-21-39-60(62)67(47-27-9-3-10-28-47)49-40-41-59-54(43-49)51-32-17-20-38-58(51)68(59)48-29-11-4-12-30-48/h1-43H
InChIKeyUKAGHTSHWIMQKH-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.22
Rot. Bonds7

About 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine

4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine (PubChem CID 168775231) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine.

Molecular Properties

Compound Name4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
PubChem CID168775231
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cc4ccccc4c32)cc1
InChIInChI=1S/C65H43N3/c1-5-23-45(24-6-1)66(46-25-7-2-8-26-46)61-42-44-22-13-14-31-50(44)64-63(61)53-34-16-19-36-56(53)65(64)55-35-18-15-33-52(55)62-57(65)37-21-39-60(62)67(47-27-9-3-10-28-47)49-40-41-59-54(43-49)51-32-17-20-38-58(51)68(59)48-29-11-4-12-30-48/h1-43H
InChIKeyUKAGHTSHWIMQKH-UHFFFAOYSA-N
XLogP17.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-naphthalen-1-yl-1-N',1-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838106
1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838184
CID 134451097
CID 134451097
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N,9-diphenylcarbazol-3-amine
CID 167357299
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775130

Frequently Asked Questions

What is the IUPAC name of 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine?
The IUPAC name of 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine (CID 168775231) is 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine.
What is the SMILES notation for 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine?
The canonical SMILES for 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cc4ccccc4c32)cc1.
What is the InChIKey of 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine?
The InChIKey is UKAGHTSHWIMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-5-23-45(24-6-1)66(46-25-7-2-8-26-46)61-42-44-22-13-14-31-50(44)64-63(61)53-34-16-19-36-56(53)65(64)55-35-18-15-33-52(55)62-57(65)37-21-39-60(62)67(47-27-9-3-10-28-47)49-40-41-59-54(43-49)51-32-17-20-38-58(51)68(59)48-29-11-4-12-30-48/h1-43H.
What are the key properties of 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine?
4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine has a molecular weight of 866.08 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine is sourced from PubChem (CID 168775231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).