9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine

C55H40N2 — CID 90393624

IUPAC9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c4)c3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)50-26-10-8-24-46(50)47-31-30-44(36-51(47)55)56(42-20-4-3-5-21-42)43-22-13-19-40(34-43)38-17-12-18-39(33-38)41-29-32-54-49(35-41)48-25-9-11-27-53(48)57(54)52-28-14-16-37-15-6-7-23-45(37)52/h3-36H,1-2H3
InChIKeyPYTGCXQDRFOYBY-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine (PubChem CID 90393624) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
PubChem CID90393624
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c4)c3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)50-26-10-8-24-46(50)47-31-30-44(36-51(47)55)56(42-20-4-3-5-21-42)43-22-13-19-40(34-43)38-17-12-18-39(33-38)41-29-32-54-49(35-41)48-25-9-11-27-53(48)57(54)52-28-14-16-37-15-6-7-23-45(37)52/h3-36H,1-2H3
InChIKeyPYTGCXQDRFOYBY-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 157191208
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 159221976
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
9,9-dimethyl-N-[4-[4-[2-(2-naphthalen-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155038409
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159442590
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine (CID 90393624) is 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine?
The InChIKey is PYTGCXQDRFOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)50-26-10-8-24-46(50)47-31-30-44(36-51(47)55)56(42-20-4-3-5-21-42)43-22-13-19-40(34-43)38-17-12-18-39(33-38)41-29-32-54-49(35-41)48-25-9-11-27-53(48)57(54)52-28-14-16-37-15-6-7-23-45(37)52/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 90393624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).