N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

C50H34N2 — CID 59211114

IUPACN-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESCN(c1ccccc1)c1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1n2-c1ccccc1
InChIInChI=1S/C50H34N2/c1-51(35-14-4-2-5-15-35)37-26-29-49-43(32-37)42-30-33(25-28-48(42)52(49)36-16-6-3-7-17-36)34-24-27-41-40-20-10-13-23-46(40)50(47(41)31-34)44-21-11-8-18-38(44)39-19-9-12-22-45(39)50/h2-32H,1H3
InChIKeyKZTKSFMPODXVPL-UHFFFAOYSA-N
MW662.84 g/mol
LogP12.56
Rot. Bonds4

About N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 59211114) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
PubChem CID59211114
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESCN(c1ccccc1)c1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1n2-c1ccccc1
InChIInChI=1S/C50H34N2/c1-51(35-14-4-2-5-15-35)37-26-29-49-43(32-37)42-30-33(25-28-48(42)52(49)36-16-6-3-7-17-36)34-24-27-41-40-20-10-13-23-46(40)50(47(41)31-34)44-21-11-8-18-38(44)39-19-9-12-22-45(39)50/h2-32H,1H3
InChIKeyKZTKSFMPODXVPL-UHFFFAOYSA-N
XLogP12.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline
CID 59211122
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-methyl-N,9-diphenyl-6-(2-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(3-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 160593768
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The IUPAC name of N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (CID 59211114) is N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
What is the SMILES notation for N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The canonical SMILES for N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is CN(c1ccccc1)c1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1n2-c1ccccc1.
What is the InChIKey of N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The InChIKey is KZTKSFMPODXVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-51(35-14-4-2-5-15-35)37-26-29-49-43(32-37)42-30-33(25-28-48(42)52(49)36-16-6-3-7-17-36)34-24-27-41-40-20-10-13-23-46(40)50(47(41)31-34)44-21-11-8-18-38(44)39-19-9-12-22-45(39)50/h2-32H,1H3.
What are the key properties of N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine has a molecular weight of 662.84 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is sourced from PubChem (CID 59211114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).