4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole

C46H38N2 — CID 169037361

IUPAC4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole
SMILESC1=CC(C2=CCCC(n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6C5=CC6=C(C=CCC6)CC5)cccc43)=C2)=CCC1
InChIInChI=1S/C46H38N2/c1-2-13-31(14-3-1)34-17-10-18-35(29-34)47-41-23-8-6-19-39(41)45-37(21-11-25-43(45)47)38-22-12-26-44-46(38)40-20-7-9-24-42(40)48(44)36-28-27-32-15-4-5-16-33(32)30-36/h2,4,6-9,11-15,17,19-26,29-30H,1,3,5,10,16,18,27-28H2
InChIKeyBFMCGQJXOYUGDC-UHFFFAOYSA-N
MW618.82 g/mol
LogP12.69
Rot. Bonds4

About 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole

4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole (PubChem CID 169037361) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole.

Molecular Properties

Compound Name4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole
PubChem CID169037361
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC Name4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole
SMILESC1=CC(C2=CCCC(n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6C5=CC6=C(C=CCC6)CC5)cccc43)=C2)=CCC1
InChIInChI=1S/C46H38N2/c1-2-13-31(14-3-1)34-17-10-18-35(29-34)47-41-23-8-6-19-39(41)45-37(21-11-25-43(45)47)38-22-12-26-44-46(38)40-20-7-9-24-42(40)48(44)36-28-27-32-15-4-5-16-33(32)30-36/h2,4,6-9,11-15,17,19-26,29-30H,1,3,5,10,16,18,27-28H2
InChIKeyBFMCGQJXOYUGDC-UHFFFAOYSA-N
XLogP12.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole with MolForge

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Related Compounds

9-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]carbazole
CID 166919142
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195742
11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126695708
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole
CID 163518743
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063273
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
CID 129111753
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 167285061
24-(3-cyclohexa-1,5-dien-1-ylphenyl)-6,10-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene;ethane
CID 144604490
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063272
4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole
CID 170102498

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole?
The IUPAC name of 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole (CID 169037361) is 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole.
What is the SMILES notation for 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole?
The canonical SMILES for 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole is C1=CC(C2=CCCC(n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6C5=CC6=C(C=CCC6)CC5)cccc43)=C2)=CCC1.
What is the InChIKey of 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole?
The InChIKey is BFMCGQJXOYUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-2-13-31(14-3-1)34-17-10-18-35(29-34)47-41-23-8-6-19-39(41)45-37(21-11-25-43(45)47)38-22-12-26-44-46(38)40-20-7-9-24-42(40)48(44)36-28-27-32-15-4-5-16-33(32)30-36/h2,4,6-9,11-15,17,19-26,29-30H,1,3,5,10,16,18,27-28H2.
What are the key properties of 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole?
4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole has a molecular weight of 618.82 g/mol, XLogP of 12.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole is sourced from PubChem (CID 169037361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).