9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine

C55H36N2 — CID 90124613

IUPAC9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C55H36N2/c1-3-16-37(17-4-1)38-18-15-21-40(34-38)56(42-31-33-48-47-25-10-14-29-53(47)57(54(48)36-42)39-19-5-2-6-20-39)41-30-32-46-45-24-9-13-28-51(45)55(52(46)35-41)49-26-11-7-22-43(49)44-23-8-12-27-50(44)55/h1-36H
InChIKeyOBTGIWLUCVSWEX-UHFFFAOYSA-N
MW724.91 g/mol
LogP14.26
Rot. Bonds5

About 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine

9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine (PubChem CID 90124613) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
PubChem CID90124613
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C55H36N2/c1-3-16-37(17-4-1)38-18-15-21-40(34-38)56(42-31-33-48-47-25-10-14-29-53(47)57(54(48)36-42)39-19-5-2-6-20-39)41-30-32-46-45-24-9-13-28-51(45)55(52(46)35-41)49-26-11-7-22-43(49)44-23-8-12-27-50(44)55/h1-36H
InChIKeyOBTGIWLUCVSWEX-UHFFFAOYSA-N
XLogP14.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375458
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 169009579
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine (CID 90124613) is 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
The InChIKey is OBTGIWLUCVSWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-3-16-37(17-4-1)38-18-15-21-40(34-38)56(42-31-33-48-47-25-10-14-29-53(47)57(54(48)36-42)39-19-5-2-6-20-39)41-30-32-46-45-24-9-13-28-51(45)55(52(46)35-41)49-26-11-7-22-43(49)44-23-8-12-27-50(44)55/h1-36H.
What are the key properties of 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine has a molecular weight of 724.91 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine is sourced from PubChem (CID 90124613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).