7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine

C53H40N2 — CID 58462131

IUPAC7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3CC2C=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H40N2/c1-4-13-38(14-5-1)40-23-27-46(28-24-40)54(47-29-25-41(26-30-47)39-15-6-2-7-16-39)48-31-33-50-43(36-48)35-44-37-49(32-34-51(44)50)55(45-19-8-3-9-20-45)53-22-12-18-42-17-10-11-21-52(42)53/h1-34,36-37,43,50H,35H2
InChIKeyXHBBFPZLGWHOBG-UHFFFAOYSA-N
MW704.92 g/mol
LogP14.19
Rot. Bonds8

About 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine

7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine (PubChem CID 58462131) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine
PubChem CID58462131
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3CC2C=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H40N2/c1-4-13-38(14-5-1)40-23-27-46(28-24-40)54(47-29-25-41(26-30-47)39-15-6-2-7-16-39)48-31-33-50-43(36-48)35-44-37-49(32-34-51(44)50)55(45-19-8-3-9-20-45)53-22-12-18-42-17-10-11-21-52(42)53/h1-34,36-37,43,50H,35H2
InChIKeyXHBBFPZLGWHOBG-UHFFFAOYSA-N
XLogP14.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806

Frequently Asked Questions

What is the IUPAC name of 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine?
The IUPAC name of 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine (CID 58462131) is 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine.
What is the SMILES notation for 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine?
The canonical SMILES for 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine is C1=CC2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3CC2C=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine?
The InChIKey is XHBBFPZLGWHOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2/c1-4-13-38(14-5-1)40-23-27-46(28-24-40)54(47-29-25-41(26-30-47)39-15-6-2-7-16-39)48-31-33-50-43(36-48)35-44-37-49(32-34-51(44)50)55(45-19-8-3-9-20-45)53-22-12-18-42-17-10-11-21-52(42)53/h1-34,36-37,43,50H,35H2.
What are the key properties of 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine?
7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine has a molecular weight of 704.92 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine is sourced from PubChem (CID 58462131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).