9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole

C50H34N2 — CID 89110822

IUPAC9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
SMILESC1=Cc2c(n(-c3ccc4c(-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)ccc5c(-c5ccccc5)c4c3)c3ccccc23)CC1
InChIInChI=1S/C50H34N2/c1-3-15-33(16-4-1)49-41-29-27-36(52-47-25-13-9-21-39(47)40-22-10-14-26-48(40)52)32-44(41)50(34-17-5-2-6-18-34)42-30-28-35(31-43(42)49)51-45-23-11-7-19-37(45)38-20-8-12-24-46(38)51/h1-13,15-25,27-32H,14,26H2
InChIKeyNMMKYAWXEGQDPU-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.33
Rot. Bonds4

About 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole

9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole (PubChem CID 89110822) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
PubChem CID89110822
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
SMILESC1=Cc2c(n(-c3ccc4c(-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)ccc5c(-c5ccccc5)c4c3)c3ccccc23)CC1
InChIInChI=1S/C50H34N2/c1-3-15-33(16-4-1)49-41-29-27-36(52-47-25-13-9-21-39(47)40-22-10-14-26-48(40)52)32-44(41)50(34-17-5-2-6-18-34)42-30-28-35(31-43(42)49)51-45-23-11-7-19-37(45)38-20-8-12-24-46(38)51/h1-13,15-25,27-32H,14,26H2
InChIKeyNMMKYAWXEGQDPU-UHFFFAOYSA-N
XLogP13.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
CID 70661565
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216707

Frequently Asked Questions

What is the IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole?
The IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole (CID 89110822) is 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole.
What is the SMILES notation for 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole?
The canonical SMILES for 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole is C1=Cc2c(n(-c3ccc4c(-c5ccccc5)c5cc(-n6c7ccccc7c7ccccc76)ccc5c(-c5ccccc5)c4c3)c3ccccc23)CC1.
What is the InChIKey of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole?
The InChIKey is NMMKYAWXEGQDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-15-33(16-4-1)49-41-29-27-36(52-47-25-13-9-21-39(47)40-22-10-14-26-48(40)52)32-44(41)50(34-17-5-2-6-18-34)42-30-28-35(31-43(42)49)51-45-23-11-7-19-37(45)38-20-8-12-24-46(38)51/h1-13,15-25,27-32H,14,26H2.
What are the key properties of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole?
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole has a molecular weight of 662.84 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole is sourced from PubChem (CID 89110822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).