9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine

C50H37N3 — CID 168771528

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccncc4)c3)cc21
InChIInChI=1S/C50H37N3/c1-50(2)46-17-8-6-15-42(46)43-25-24-41(33-47(43)50)52(38-22-19-35(20-23-38)34-11-4-3-5-12-34)40-14-10-13-36(31-40)37-21-26-49-45(32-37)44-16-7-9-18-48(44)53(49)39-27-29-51-30-28-39/h3-33H,1-2H3
InChIKeyXXTUEKYWZYZLFW-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.29
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 168771528) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
PubChem CID168771528
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccncc4)c3)cc21
InChIInChI=1S/C50H37N3/c1-50(2)46-17-8-6-15-42(46)43-25-24-41(33-47(43)50)52(38-22-19-35(20-23-38)34-11-4-3-5-12-34)40-14-10-13-36(31-40)37-21-26-49-45(32-37)44-16-7-9-18-48(44)53(49)39-27-29-51-30-28-39/h3-33H,1-2H3
InChIKeyXXTUEKYWZYZLFW-UHFFFAOYSA-N
XLogP13.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine
CID 71248704
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 158303930
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 168771528) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccncc4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine?
The InChIKey is XXTUEKYWZYZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-50(2)46-17-8-6-15-42(46)43-25-24-41(33-47(43)50)52(38-22-19-35(20-23-38)34-11-4-3-5-12-34)40-14-10-13-36(31-40)37-21-26-49-45(32-37)44-16-7-9-18-48(44)53(49)39-27-29-51-30-28-39/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 679.87 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 168771528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).