N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine

C53H38N2 — CID 164778272

IUPACN-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
SMILESC1=CC2c3ccc(N(c4ccc5ccccc5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C53H38N2/c1-4-18-39(19-5-1)53(40-20-6-2-7-21-40)49-26-14-12-24-45(49)46-32-30-43(35-50(46)53)54(42-29-28-37-16-10-11-17-38(37)34-42)44-31-33-48-47-25-13-15-27-51(47)55(52(48)36-44)41-22-8-3-9-23-41/h1-36,45,49H
InChIKeySCOTWNAAXFZKFK-UHFFFAOYSA-N
MW702.90 g/mol
LogP13.58
Rot. Bonds6

About N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine

N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine (PubChem CID 164778272) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
PubChem CID164778272
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
SMILESC1=CC2c3ccc(N(c4ccc5ccccc5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C53H38N2/c1-4-18-39(19-5-1)53(40-20-6-2-7-21-40)49-26-14-12-24-45(49)46-32-30-43(35-50(46)53)54(42-29-28-37-16-10-11-17-38(37)34-42)44-31-33-48-47-25-13-15-27-51(47)55(52(48)36-44)41-22-8-3-9-23-41/h1-36,45,49H
InChIKeySCOTWNAAXFZKFK-UHFFFAOYSA-N
XLogP13.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417823
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 70883649
N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
CID 163931277
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
CID 153201298

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine (CID 164778272) is N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine is C1=CC2c3ccc(N(c4ccc5ccccc5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3C(c3ccccc3)(c3ccccc3)C2C=C1.
What is the InChIKey of N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
The InChIKey is SCOTWNAAXFZKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-4-18-39(19-5-1)53(40-20-6-2-7-21-40)49-26-14-12-24-45(49)46-32-30-43(35-50(46)53)54(42-29-28-37-16-10-11-17-38(37)34-42)44-31-33-48-47-25-13-15-27-51(47)55(52(48)36-44)41-22-8-3-9-23-41/h1-36,45,49H.
What are the key properties of N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine has a molecular weight of 702.90 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 164778272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).