9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine

C61H44N2 — CID 90085898

IUPAC9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4cccc5ccccc45)c3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C61H44N2/c1-61(2)57-39-47(62(45-23-10-5-11-24-45)46-30-33-50(42-19-8-4-9-20-42)55(38-46)51-27-16-22-43-21-12-13-25-49(43)51)31-34-52(57)53-35-32-48(40-58(53)61)63-59-28-15-14-26-54(59)56-37-44(29-36-60(56)63)41-17-6-3-7-18-41/h3-40H,1-2H3
InChIKeyWUIIOAHVDVRBOS-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.71
Rot. Bonds7

About 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine

9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine (PubChem CID 90085898) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine
PubChem CID90085898
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4cccc5ccccc45)c3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C61H44N2/c1-61(2)57-39-47(62(45-23-10-5-11-24-45)46-30-33-50(42-19-8-4-9-20-42)55(38-46)51-27-16-22-43-21-12-13-25-49(43)51)31-34-52(57)53-35-32-48(40-58(53)61)63-59-28-15-14-26-54(59)56-37-44(29-36-60(56)63)41-17-6-3-7-18-41/h3-40H,1-2H3
InChIKeyWUIIOAHVDVRBOS-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390079
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162097788
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212902
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038406
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine (CID 90085898) is 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4cccc5ccccc45)c3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc21.
What is the InChIKey of 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine?
The InChIKey is WUIIOAHVDVRBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-61(2)57-39-47(62(45-23-10-5-11-24-45)46-30-33-50(42-19-8-4-9-20-42)55(38-46)51-27-16-22-43-21-12-13-25-49(43)51)31-34-52(57)53-35-32-48(40-58(53)61)63-59-28-15-14-26-54(59)56-37-44(29-36-60(56)63)41-17-6-3-7-18-41/h3-40H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine?
9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine has a molecular weight of 805.04 g/mol, XLogP of 16.71, 7 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-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine is sourced from PubChem (CID 90085898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).