2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole

C60H38N2O — CID 170386572

IUPAC2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)oc9ccccc9%10)cc8)cc7)cc6)c5c4)cc32)cc1
InChIInChI=1S/C60H38N2O/c1-2-10-47(11-3-1)61-55-15-7-4-12-49(55)51-33-28-44(36-57(51)61)45-29-34-52-50-13-5-8-16-56(50)62(58(52)37-45)48-31-26-42(27-32-48)41-20-18-39(19-21-41)40-22-24-43(25-23-40)46-30-35-54-53-14-6-9-17-59(53)63-60(54)38-46/h1-38H
InChIKeyURJIFUPEINONEU-UHFFFAOYSA-N
MW802.98 g/mol
LogP16.45
Rot. Bonds6

About 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole

2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 170386572) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID170386572
Molecular FormulaC60H38N2O
Molecular Weight802.98 g/mol
Exact Mass802.30
IUPAC Name2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)oc9ccccc9%10)cc8)cc7)cc6)c5c4)cc32)cc1
InChIInChI=1S/C60H38N2O/c1-2-10-47(11-3-1)61-55-15-7-4-12-49(55)51-33-28-44(36-57(51)61)45-29-34-52-50-13-5-8-16-56(50)62(58(52)37-45)48-31-26-42(27-32-48)41-20-18-39(19-21-41)40-22-24-43(25-23-40)46-30-35-54-53-14-6-9-17-59(53)63-60(54)38-46/h1-38H
InChIKeyURJIFUPEINONEU-UHFFFAOYSA-N
XLogP16.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 170386572) is 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)oc9ccccc9%10)cc8)cc7)cc6)c5c4)cc32)cc1.
What is the InChIKey of 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is URJIFUPEINONEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-2-10-47(11-3-1)61-55-15-7-4-12-49(55)51-33-28-44(36-57(51)61)45-29-34-52-50-13-5-8-16-56(50)62(58(52)37-45)48-31-26-42(27-32-48)41-20-18-39(19-21-41)40-22-24-43(25-23-40)46-30-35-54-53-14-6-9-17-59(53)63-60(54)38-46/h1-38H.
What are the key properties of 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 802.98 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 170386572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).