N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine

C48H33N3O2 — CID 126636088

IUPACN-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
SMILESC1=Cc2c(c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C48H33N3O2/c1-3-13-32(14-4-1)50-42-20-10-8-18-38(42)40-29-34(24-27-43(40)50)49(36-25-28-47-48(31-36)53-46-22-12-11-21-45(46)52-47)35-23-26-39-37-17-7-9-19-41(37)51(44(39)30-35)33-15-5-2-6-16-33/h1-6,8-16,18-31H,7,17H2
InChIKeyFHYDYOPPXBFECS-UHFFFAOYSA-N
MW683.81 g/mol
LogP13.05
Rot. Bonds5

About N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine

N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine (PubChem CID 126636088) has the molecular formula C48H33N3O2 and a molecular weight of 683.81 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
PubChem CID126636088
Molecular FormulaC48H33N3O2
Molecular Weight683.81 g/mol
Exact Mass683.26
IUPAC NameN-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
SMILESC1=Cc2c(c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C48H33N3O2/c1-3-13-32(14-4-1)50-42-20-10-8-18-38(42)40-29-34(24-27-43(40)50)49(36-25-28-47-48(31-36)53-46-22-12-11-21-45(46)52-47)35-23-26-39-37-17-7-9-19-41(37)51(44(39)30-35)33-15-5-2-6-16-33/h1-6,8-16,18-31H,7,17H2
InChIKeyFHYDYOPPXBFECS-UHFFFAOYSA-N
XLogP13.05
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
N-[4-[6,7-diphenyl-9-[4-(N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 170245968
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198

Frequently Asked Questions

What is the IUPAC name of N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine?
The IUPAC name of N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine (CID 126636088) is N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine?
The canonical SMILES for N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine is C1=Cc2c(c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n2-c2ccccc2)CC1.
What is the InChIKey of N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine?
The InChIKey is FHYDYOPPXBFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O2/c1-3-13-32(14-4-1)50-42-20-10-8-18-38(42)40-29-34(24-27-43(40)50)49(36-25-28-47-48(31-36)53-46-22-12-11-21-45(46)52-47)35-23-26-39-37-17-7-9-19-41(37)51(44(39)30-35)33-15-5-2-6-16-33/h1-6,8-16,18-31H,7,17H2.
What are the key properties of N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine?
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine has a molecular weight of 683.81 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine is sourced from PubChem (CID 126636088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).