9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine

C77H48N4 — CID 145345863

IUPAC9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5-c5ccccc54)c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C77H48N4/c1-3-22-50(23-4-1)78-66-35-16-11-29-57(66)59-44-42-52(47-72(59)78)80-68-37-18-13-31-61(68)75-69(80)39-20-40-70(75)81(53-43-45-60-58-30-12-17-36-67(58)79(73(60)48-53)51-24-5-2-6-25-51)71-38-19-34-64-76(71)74-54-26-8-7-21-49(54)41-46-65(74)77(64)62-32-14-9-27-55(62)56-28-10-15-33-63(56)77/h1-48H
InChIKeyLVZHVOGUMSNCOM-UHFFFAOYSA-N
MW1029.26 g/mol
LogP19.94
Rot. Bonds6

About 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine

9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine (PubChem CID 145345863) has the molecular formula C77H48N4 and a molecular weight of 1029.26 g/mol. Its IUPAC name is 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine
PubChem CID145345863
Molecular FormulaC77H48N4
Molecular Weight1029.26 g/mol
Exact Mass1028.39
IUPAC Name9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5-c5ccccc54)c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C77H48N4/c1-3-22-50(23-4-1)78-66-35-16-11-29-57(66)59-44-42-52(47-72(59)78)80-68-37-18-13-31-61(68)75-69(80)39-20-40-70(75)81(53-43-45-60-58-30-12-17-36-67(58)79(73(60)48-53)51-24-5-2-6-25-51)71-38-19-34-64-76(71)74-54-26-8-7-21-49(54)41-46-65(74)77(64)62-32-14-9-27-55(62)56-28-10-15-33-63(56)77/h1-48H
InChIKeyLVZHVOGUMSNCOM-UHFFFAOYSA-N
XLogP19.94
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.26
LogP ≤ 519.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
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
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-naphthalen-1-yl-1-N',1-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838106
9-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-4-amine
CID 166048544
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
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
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-1-yl)benzo[b]carbazol-3-amine
CID 145335074
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 161188931
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine?
The IUPAC name of 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine (CID 145345863) is 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5-c5ccccc54)c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1.
What is the InChIKey of 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine?
The InChIKey is LVZHVOGUMSNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48N4/c1-3-22-50(23-4-1)78-66-35-16-11-29-57(66)59-44-42-52(47-72(59)78)80-68-37-18-13-31-61(68)75-69(80)39-20-40-70(75)81(53-43-45-60-58-30-12-17-36-67(58)79(73(60)48-53)51-24-5-2-6-25-51)71-38-19-34-64-76(71)74-54-26-8-7-21-49(54)41-46-65(74)77(64)62-32-14-9-27-55(62)56-28-10-15-33-63(56)77/h1-48H.
What are the key properties of 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine?
9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine has a molecular weight of 1029.26 g/mol, XLogP of 19.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine is sourced from PubChem (CID 145345863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).