N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine

C55H36N2 — CID 165155466

IUPACN,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C55H36N2/c1-4-18-37(19-5-1)38-34-47-46-27-13-17-31-52(46)57(40-22-8-3-9-23-40)54(47)53(35-38)56(39-20-6-2-7-21-39)41-32-33-45-44-26-12-16-30-50(44)55(51(45)36-41)48-28-14-10-24-42(48)43-25-11-15-29-49(43)55/h1-36H
InChIKeySDCLUYDWEVRORM-UHFFFAOYSA-N
MW724.91 g/mol
LogP14.26
Rot. Bonds5

About N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine

N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine (PubChem CID 165155466) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine.

Molecular Properties

Compound NameN,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine
PubChem CID165155466
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC NameN,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C55H36N2/c1-4-18-37(19-5-1)38-34-47-46-27-13-17-31-52(46)57(40-22-8-3-9-23-40)54(47)53(35-38)56(39-20-6-2-7-21-39)41-32-33-45-44-26-12-16-30-50(44)55(51(45)36-41)48-28-14-10-24-42(48)43-25-11-15-29-49(43)55/h1-36H
InChIKeySDCLUYDWEVRORM-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

N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 165155547
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
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-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118289063
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625

Frequently Asked Questions

What is the IUPAC name of N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine?
The IUPAC name of N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine (CID 165155466) is N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine.
What is the SMILES notation for N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine?
The canonical SMILES for N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine is c1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine?
The InChIKey is SDCLUYDWEVRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-4-18-37(19-5-1)38-34-47-46-27-13-17-31-52(46)57(40-22-8-3-9-23-40)54(47)53(35-38)56(39-20-6-2-7-21-39)41-32-33-45-44-26-12-16-30-50(44)55(51(45)36-41)48-28-14-10-24-42(48)43-25-11-15-29-49(43)55/h1-36H.
What are the key properties of N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine?
N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-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 N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine is sourced from PubChem (CID 165155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).