N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine

C54H38N2 — CID 129293021

IUPACN-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
SMILESCC1(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H38N2/c1-54(49-22-10-7-19-45(49)46-20-8-11-23-50(46)54)40-29-33-43(34-30-40)55(51-25-13-15-38-14-5-6-18-44(38)51)42-31-26-37(27-32-42)39-28-35-53-48(36-39)47-21-9-12-24-52(47)56(53)41-16-3-2-4-17-41/h2-36H,1H3
InChIKeyVQPWNDFRBAUYFH-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.41
Rot. Bonds6

About N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine

N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine (PubChem CID 129293021) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
PubChem CID129293021
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
SMILESCC1(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H38N2/c1-54(49-22-10-7-19-45(49)46-20-8-11-23-50(46)54)40-29-33-43(34-30-40)55(51-25-13-15-38-14-5-6-18-44(38)51)42-31-26-37(27-32-42)39-28-35-53-48(36-39)47-21-9-12-24-52(47)56(53)41-16-3-2-4-17-41/h2-36H,1H3
InChIKeyVQPWNDFRBAUYFH-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 167215207
3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 129293023
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 159946266
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038321
N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304175

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine (CID 129293021) is N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine is CC1(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine?
The InChIKey is VQPWNDFRBAUYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-54(49-22-10-7-19-45(49)46-20-8-11-23-50(46)54)40-29-33-43(34-30-40)55(51-25-13-15-38-14-5-6-18-44(38)51)42-31-26-37(27-32-42)39-28-35-53-48(36-39)47-21-9-12-24-52(47)56(53)41-16-3-2-4-17-41/h2-36H,1H3.
What are the key properties of N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine?
N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine has a molecular weight of 714.91 g/mol, XLogP of 14.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 129293021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).