N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine

C35H29N — CID 166924257

IUPACN-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
SMILESC1=CC2=C(Nc3ccc(C4(c5ccccc5)C5=C(CCC=C5)c5ccccc54)cc3)C=CCC2C=C1
InChIInChI=1S/C35H29N/c1-2-13-26(14-3-1)35(32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)27-21-23-28(24-22-27)36-34-20-10-12-25-11-4-5-15-29(25)34/h1-6,8-11,13-16,18-25,36H,7,12,17H2
InChIKeyKUJUTMGASXBVKK-UHFFFAOYSA-N
MW463.62 g/mol
LogP8.51
Rot. Bonds4

About N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine

N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine (PubChem CID 166924257) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
PubChem CID166924257
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC NameN-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
SMILESC1=CC2=C(Nc3ccc(C4(c5ccccc5)C5=C(CCC=C5)c5ccccc54)cc3)C=CCC2C=C1
InChIInChI=1S/C35H29N/c1-2-13-26(14-3-1)35(32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)27-21-23-28(24-22-27)36-34-20-10-12-25-11-4-5-15-29(25)34/h1-6,8-11,13-16,18-25,36H,7,12,17H2
InChIKeyKUJUTMGASXBVKK-UHFFFAOYSA-N
XLogP8.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine
CID 153471186
N-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 146413642
3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
CID 163520915
12,12-diphenyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[a]indene
CID 147795463
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine?
The IUPAC name of N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine (CID 166924257) is N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine.
What is the SMILES notation for N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine?
The canonical SMILES for N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine is C1=CC2=C(Nc3ccc(C4(c5ccccc5)C5=C(CCC=C5)c5ccccc54)cc3)C=CCC2C=C1.
What is the InChIKey of N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine?
The InChIKey is KUJUTMGASXBVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-2-13-26(14-3-1)35(32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)27-21-23-28(24-22-27)36-34-20-10-12-25-11-4-5-15-29(25)34/h1-6,8-11,13-16,18-25,36H,7,12,17H2.
What are the key properties of N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine?
N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine has a molecular weight of 463.62 g/mol, XLogP of 8.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine is sourced from PubChem (CID 166924257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).