N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine

C52H40N2 — CID 144519701

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine
SMILESC1=CCC2C(=C1)C1(CCC1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc12
InChIInChI=1S/C52H40N2/c1-3-12-36(13-4-1)37-20-25-41(26-21-37)53(43-29-30-49-46(35-43)44-16-7-9-18-48(44)52(49)32-11-33-52)42-27-22-38(23-28-42)39-24-31-51-47(34-39)45-17-8-10-19-50(45)54(51)40-14-5-2-6-15-40/h1-10,12-15,17-31,34-35,44H,11,16,32-33H2
InChIKeyOHVJUFRXISVNKH-UHFFFAOYSA-N
MW692.91 g/mol
LogP13.99
Rot. Bonds6

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine (PubChem CID 144519701) has the molecular formula C52H40N2 and a molecular weight of 692.91 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine
PubChem CID144519701
Molecular FormulaC52H40N2
Molecular Weight692.91 g/mol
Exact Mass692.32
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine
SMILESC1=CCC2C(=C1)C1(CCC1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc12
InChIInChI=1S/C52H40N2/c1-3-12-36(13-4-1)37-20-25-41(26-21-37)53(43-29-30-49-46(35-43)44-16-7-9-18-48(44)52(49)32-11-33-52)42-27-22-38(23-28-42)39-24-31-51-47(34-39)45-17-8-10-19-50(45)54(51)40-14-5-2-6-15-40/h1-10,12-15,17-31,34-35,44H,11,16,32-33H2
InChIKeyOHVJUFRXISVNKH-UHFFFAOYSA-N
XLogP13.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.91
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,15,17-octaen-10-amine;N-(9-phenylcarbazol-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 159927957
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine (CID 144519701) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine is C1=CCC2C(=C1)C1(CCC1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc12.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine?
The InChIKey is OHVJUFRXISVNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2/c1-3-12-36(13-4-1)37-20-25-41(26-21-37)53(43-29-30-49-46(35-43)44-16-7-9-18-48(44)52(49)32-11-33-52)42-27-22-38(23-28-42)39-24-31-51-47(34-39)45-17-8-10-19-50(45)54(51)40-14-5-2-6-15-40/h1-10,12-15,17-31,34-35,44H,11,16,32-33H2.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine has a molecular weight of 692.91 g/mol, XLogP of 13.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine is sourced from PubChem (CID 144519701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).