N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine

C45H31N — CID 176588293

IUPACN-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C45H31N/c1-2-11-31(12-3-1)32-21-25-37(26-22-32)46(38-27-23-36-29-35-15-6-8-18-40(35)44(36)30-38)45-41-19-9-5-14-34(41)24-28-43(45)42-20-10-16-33-13-4-7-17-39(33)42/h1-28,30H,29H2
InChIKeyDPNSOVORYNHKOG-UHFFFAOYSA-N
MW585.75 g/mol
LogP12.37
Rot. Bonds5

About N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine

N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine (PubChem CID 176588293) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
PubChem CID176588293
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC NameN-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C45H31N/c1-2-11-31(12-3-1)32-21-25-37(26-22-32)46(38-27-23-36-29-35-15-6-8-18-40(35)44(36)30-38)45-41-19-9-5-14-34(41)24-28-43(45)42-20-10-16-33-13-4-7-17-39(33)42/h1-28,30H,29H2
InChIKeyDPNSOVORYNHKOG-UHFFFAOYSA-N
XLogP12.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588419
4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 176588231
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]-9H-fluoren-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-amine
CID 167596177
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;4-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 160803863
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 121387026
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine?
The IUPAC name of N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine (CID 176588293) is N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine?
The canonical SMILES for N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine?
The InChIKey is DPNSOVORYNHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-2-11-31(12-3-1)32-21-25-37(26-22-32)46(38-27-23-36-29-35-15-6-8-18-40(35)44(36)30-38)45-41-19-9-5-14-34(41)24-28-43(45)42-20-10-16-33-13-4-7-17-39(33)42/h1-28,30H,29H2.
What are the key properties of N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine?
N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine has a molecular weight of 585.75 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine is sourced from PubChem (CID 176588293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).