3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole

C42H30N2O — CID 170138327

IUPAC3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole
SMILESC1=Cc2oc3c(-c4ccc(-n5c6c(c7cc(-c8ccc9[nH]c%10ccccc%10c9c8)ccc75)C=CCC6)cc4)cccc3c2CC1
InChIInChI=1S/C42H30N2O/c1-4-13-37-31(8-1)35-24-27(18-22-38(35)43-37)28-19-23-40-36(25-28)32-9-2-5-14-39(32)44(40)29-20-16-26(17-21-29)30-11-7-12-34-33-10-3-6-15-41(33)45-42(30)34/h1-2,4,6-9,11-13,15-25,43H,3,5,10,14H2
InChIKeyQSTQBMNPPHWCLK-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.26
Rot. Bonds3

About 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole

3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole (PubChem CID 170138327) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole
PubChem CID170138327
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC Name3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole
SMILESC1=Cc2oc3c(-c4ccc(-n5c6c(c7cc(-c8ccc9[nH]c%10ccccc%10c9c8)ccc75)C=CCC6)cc4)cccc3c2CC1
InChIInChI=1S/C42H30N2O/c1-4-13-37-31(8-1)35-24-27(18-22-38(35)43-37)28-19-23-40-36(25-28)32-9-2-5-14-39(32)44(40)29-20-16-26(17-21-29)30-11-7-12-34-33-10-3-6-15-41(33)45-42(30)34/h1-2,4,6-9,11-13,15-25,43H,3,5,10,14H2
InChIKeyQSTQBMNPPHWCLK-UHFFFAOYSA-N
XLogP11.26
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
2-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-2-yl]-9H-carbazole
CID 144578976
ethane;11-phenyl-9,10-dihydro-5H-indolo[3,2-b]carbazole
CID 142504908
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzofuran-2-ylidene]ethyl]-2-[3-phenyl-5-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]carbazole
CID 145328017
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole?
The IUPAC name of 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole (CID 170138327) is 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole.
What is the SMILES notation for 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole?
The canonical SMILES for 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole is C1=Cc2oc3c(-c4ccc(-n5c6c(c7cc(-c8ccc9[nH]c%10ccccc%10c9c8)ccc75)C=CCC6)cc4)cccc3c2CC1.
What is the InChIKey of 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole?
The InChIKey is QSTQBMNPPHWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-4-13-37-31(8-1)35-24-27(18-22-38(35)43-37)28-19-23-40-36(25-28)32-9-2-5-14-39(32)44(40)29-20-16-26(17-21-29)30-11-7-12-34-33-10-3-6-15-41(33)45-42(30)34/h1-2,4,6-9,11-13,15-25,43H,3,5,10,14H2.
What are the key properties of 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole?
3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole has a molecular weight of 578.72 g/mol, XLogP of 11.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9H-carbazole is sourced from PubChem (CID 170138327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).