9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole

C60H41N3 — CID 70661535

IUPAC9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
SMILESC1=C(c2ccccc2)CCc2c1c1cc(-c3ccccc3)ccc1n2-c1ccc2[nH]c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3c2c1
InChIInChI=1S/C60H41N3/c1-5-13-39(14-6-1)43-21-29-57-51(33-43)52-34-44(40-15-7-2-8-16-40)22-30-58(52)62(57)47-25-27-55-49(37-47)50-38-48(26-28-56(50)61-55)63-59-31-23-45(41-17-9-3-10-18-41)35-53(59)54-36-46(24-32-60(54)63)42-19-11-4-12-20-42/h1-23,25-31,33-38,61H,24,32H2
InChIKeySIWZAEHJPXLGMG-UHFFFAOYSA-N
MW804.01 g/mol
LogP15.85
Rot. Bonds6

About 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole

9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole (PubChem CID 70661535) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
PubChem CID70661535
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
SMILESC1=C(c2ccccc2)CCc2c1c1cc(-c3ccccc3)ccc1n2-c1ccc2[nH]c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3c2c1
InChIInChI=1S/C60H41N3/c1-5-13-39(14-6-1)43-21-29-57-51(33-43)52-34-44(40-15-7-2-8-16-40)22-30-58(52)62(57)47-25-27-55-49(37-47)50-38-48(26-28-56(50)61-55)63-59-31-23-45(41-17-9-3-10-18-41)35-53(59)54-36-46(24-32-60(54)63)42-19-11-4-12-20-42/h1-23,25-31,33-38,61H,24,32H2
InChIKeySIWZAEHJPXLGMG-UHFFFAOYSA-N
XLogP15.85
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 515.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
CID 69285159
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 89431262
3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole
CID 59147141
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 144780313
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole (CID 70661535) is 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole is C1=C(c2ccccc2)CCc2c1c1cc(-c3ccccc3)ccc1n2-c1ccc2[nH]c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3c2c1.
What is the InChIKey of 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole?
The InChIKey is SIWZAEHJPXLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-5-13-39(14-6-1)43-21-29-57-51(33-43)52-34-44(40-15-7-2-8-16-40)22-30-58(52)62(57)47-25-27-55-49(37-47)50-38-48(26-28-56(50)61-55)63-59-31-23-45(41-17-9-3-10-18-41)35-53(59)54-36-46(24-32-60(54)63)42-19-11-4-12-20-42/h1-23,25-31,33-38,61H,24,32H2.
What are the key properties of 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole?
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole has a molecular weight of 804.01 g/mol, XLogP of 15.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 70661535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).