N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C61H44N2O2 — CID 138581249

IUPACN-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESC1=CC2c3c(ccc4c3OC3C=CC(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)=CC3O4)C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C61H44N2O2/c1-5-18-41(19-6-1)42-20-17-27-46(38-42)62(47-32-35-55-51(39-47)49-28-14-16-31-54(49)63(55)45-25-11-4-12-26-45)48-33-36-56-58(40-48)64-57-37-34-53-59(60(57)65-56)50-29-13-15-30-52(50)61(53,43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-40,50,52,56,58H
InChIKeyBOFARHRFKWUSGL-UHFFFAOYSA-N
MW837.04 g/mol
LogP14.42
Rot. Bonds7

About N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 138581249) has the molecular formula C61H44N2O2 and a molecular weight of 837.04 g/mol. Its IUPAC name is N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID138581249
Molecular FormulaC61H44N2O2
Molecular Weight837.04 g/mol
Exact Mass836.34
IUPAC NameN-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESC1=CC2c3c(ccc4c3OC3C=CC(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)=CC3O4)C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C61H44N2O2/c1-5-18-41(19-6-1)42-20-17-27-46(38-42)62(47-32-35-55-51(39-47)49-28-14-16-31-54(49)63(55)45-25-11-4-12-26-45)48-33-36-56-58(40-48)64-57-37-34-53-59(60(57)65-56)50-29-13-15-30-52(50)61(53,43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-40,50,52,56,58H
InChIKeyBOFARHRFKWUSGL-UHFFFAOYSA-N
XLogP14.42
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
CID 118963240
N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 164778272
N-(3-methylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 145232530
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170126005
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 130349362
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
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165384299
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 138581249) is N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is C1=CC2c3c(ccc4c3OC3C=CC(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)=CC3O4)C(c3ccccc3)(c3ccccc3)C2C=C1.
What is the InChIKey of N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is BOFARHRFKWUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2O2/c1-5-18-41(19-6-1)42-20-17-27-46(38-42)62(47-32-35-55-51(39-47)49-28-14-16-31-54(49)63(55)45-25-11-4-12-26-45)48-33-36-56-58(40-48)64-57-37-34-53-59(60(57)65-56)50-29-13-15-30-52(50)61(53,43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-40,50,52,56,58H.
What are the key properties of N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 837.04 g/mol, XLogP of 14.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-diphenyl-4a,8a,12a,13a-tetrahydroindeno[1,2-a]oxanthren-3-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 138581249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).