N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine

C38H32N2 — CID 59747054

IUPACN-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
SMILESCCC(C)c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C38H32N2/c1-3-27(2)28-16-19-31(20-17-28)39(34-21-18-29-10-4-5-11-30(29)26-34)32-22-24-33(25-23-32)40-37-14-8-6-12-35(37)36-13-7-9-15-38(36)40/h4-27H,3H2,1-2H3
InChIKeyILEATMJPPNEPRA-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.92
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine

N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine (PubChem CID 59747054) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
PubChem CID59747054
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC NameN-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
SMILESCCC(C)c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C38H32N2/c1-3-27(2)28-16-19-31(20-17-28)39(34-21-18-29-10-4-5-11-30(29)26-34)32-22-24-33(25-23-32)40-37-14-8-6-12-35(37)36-13-7-9-15-38(36)40/h4-27H,3H2,1-2H3
InChIKeyILEATMJPPNEPRA-UHFFFAOYSA-N
XLogP10.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 154597309
3-carbazol-9-yl-N,N-bis(4-phenylphenyl)aniline;3-carbazol-9-yl-N,N-diphenylaniline;4-carbazol-9-yl-N,N-diphenylaniline;N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 162023531
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
3-butan-2-yl-9-phenylcarbazole
CID 23520668
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032042
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine (CID 59747054) is N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine is CCC(C)c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine?
The InChIKey is ILEATMJPPNEPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-3-27(2)28-16-19-31(20-17-28)39(34-21-18-29-10-4-5-11-30(29)26-34)32-22-24-33(25-23-32)40-37-14-8-6-12-35(37)36-13-7-9-15-38(36)40/h4-27H,3H2,1-2H3.
What are the key properties of N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine?
N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine has a molecular weight of 516.69 g/mol, XLogP of 10.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 59747054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).