N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine

C55H36N2O2 — CID 138581380

IUPACN-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C55H36N2O2/c1-5-17-37(18-6-1)55(38-19-7-2-8-20-38)46-27-15-13-26-45(46)53-47(55)32-34-51-54(53)59-50-33-30-42(36-52(50)58-51)56(39-21-9-3-10-22-39)41-29-31-44-43-25-14-16-28-48(43)57(49(44)35-41)40-23-11-4-12-24-40/h1-36H
InChIKeyFRSNANPRYOUYOG-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.51
Rot. Bonds6

About N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine

N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine (PubChem CID 138581380) has the molecular formula C55H36N2O2 and a molecular weight of 756.91 g/mol. Its IUPAC name is N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
PubChem CID138581380
Molecular FormulaC55H36N2O2
Molecular Weight756.91 g/mol
Exact Mass756.28
IUPAC NameN-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C55H36N2O2/c1-5-17-37(18-6-1)55(38-19-7-2-8-20-38)46-27-15-13-26-45(46)53-47(55)32-34-51-54(53)59-50-33-30-42(36-52(50)58-51)56(39-21-9-3-10-22-39)41-29-31-44-43-25-14-16-28-48(43)57(49(44)35-41)40-23-11-4-12-24-40/h1-36H
InChIKeyFRSNANPRYOUYOG-UHFFFAOYSA-N
XLogP14.51
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
CID 166005560
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-(7,7-diphenylbenzo[c]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 146364307
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine
CID 177122433
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159606680

Frequently Asked Questions

What is the IUPAC name of N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine (CID 138581380) is N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is FRSNANPRYOUYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O2/c1-5-17-37(18-6-1)55(38-19-7-2-8-20-38)46-27-15-13-26-45(46)53-47(55)32-34-51-54(53)59-50-33-30-42(36-52(50)58-51)56(39-21-9-3-10-22-39)41-29-31-44-43-25-14-16-28-48(43)57(49(44)35-41)40-23-11-4-12-24-40/h1-36H.
What are the key properties of N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine?
N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine has a molecular weight of 756.91 g/mol, XLogP of 14.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 138581380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).