12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine

C47H34N2 — CID 155484351

IUPAC12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
SMILESC1=CC2c3ccccc3C3(c4cc(Nc5ccc(-c6ccccc6)cc5)ccc4N(c4ccccc4)c4c3ccc3ccccc43)C2C=C1
InChIInChI=1S/C47H34N2/c1-3-13-32(14-4-1)33-23-26-35(27-24-33)48-36-28-30-45-44(31-36)47(41-21-11-9-19-39(41)40-20-10-12-22-42(40)47)43-29-25-34-15-7-8-18-38(34)46(43)49(45)37-16-5-2-6-17-37/h1-31,39,41,48H
InChIKeyRWMIOWCDNBAMJZ-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.21
Rot. Bonds4

About 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine

12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine (PubChem CID 155484351) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine.

Molecular Properties

Compound Name12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
PubChem CID155484351
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
SMILESC1=CC2c3ccccc3C3(c4cc(Nc5ccc(-c6ccccc6)cc5)ccc4N(c4ccccc4)c4c3ccc3ccccc43)C2C=C1
InChIInChI=1S/C47H34N2/c1-3-13-32(14-4-1)33-23-26-35(27-24-33)48-36-28-30-45-44(31-36)47(41-21-11-9-19-39(41)40-20-10-12-22-42(40)47)43-29-25-34-15-7-8-18-38(34)46(43)49(45)37-16-5-2-6-17-37/h1-31,39,41,48H
InChIKeyRWMIOWCDNBAMJZ-UHFFFAOYSA-N
XLogP12.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166958428
N,6'-diphenylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-3'-amine
CID 166958485
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 70878231
N-[4-[4-ethyl-3-(2-methylphenyl)phenyl]phenyl]-3-(9-phenyl-4a,9a-dihydrofluoren-9-yl)aniline
CID 166714576
CID 163666142
CID 163666142
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine
CID 129263237
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 135233943
4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 129084757

Frequently Asked Questions

What is the IUPAC name of 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine?
The IUPAC name of 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine (CID 155484351) is 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine.
What is the SMILES notation for 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine?
The canonical SMILES for 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine is C1=CC2c3ccccc3C3(c4cc(Nc5ccc(-c6ccccc6)cc5)ccc4N(c4ccccc4)c4c3ccc3ccccc43)C2C=C1.
What is the InChIKey of 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine?
The InChIKey is RWMIOWCDNBAMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-3-13-32(14-4-1)33-23-26-35(27-24-33)48-36-28-30-45-44(31-36)47(41-21-11-9-19-39(41)40-20-10-12-22-42(40)47)43-29-25-34-15-7-8-18-38(34)46(43)49(45)37-16-5-2-6-17-37/h1-31,39,41,48H.
What are the key properties of 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine?
12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine has a molecular weight of 626.80 g/mol, XLogP of 12.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine is sourced from PubChem (CID 155484351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).