1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole

C63H51N — CID 123407693

IUPAC1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole
SMILESC1=CCCC(c2cc(-c3ccccc3)cc3c4cc(-c5ccc6c(c5)-c5cc(-c7ccccc7)cc(-c7ccccc7)c5CC(C5=CCCC=C5)C6)ccc4n(C4=CCCC=C4)c23)=C1
InChIInChI=1S/C63H51N/c1-7-19-43(20-8-1)51-35-50-32-31-48(36-56(50)59-41-52(44-21-9-2-10-22-44)38-55(58(59)40-51)46-25-13-4-14-26-46)49-33-34-62-60(37-49)61-42-53(45-23-11-3-12-24-45)39-57(47-27-15-5-16-28-47)63(61)64(62)54-29-17-6-18-30-54/h2-5,7,9-15,17,19-27,29-34,36-39,41-42,51H,1,6,8,16,18,28,35,40H2
InChIKeyYWLGUTKFZGHXHD-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.05
Rot. Bonds7

About 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole

1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole (PubChem CID 123407693) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole
PubChem CID123407693
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC Name1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole
SMILESC1=CCCC(c2cc(-c3ccccc3)cc3c4cc(-c5ccc6c(c5)-c5cc(-c7ccccc7)cc(-c7ccccc7)c5CC(C5=CCCC=C5)C6)ccc4n(C4=CCCC=C4)c23)=C1
InChIInChI=1S/C63H51N/c1-7-19-43(20-8-1)51-35-50-32-31-48(36-56(50)59-41-52(44-21-9-2-10-22-44)38-55(58(59)40-51)46-25-13-4-14-26-46)49-33-34-62-60(37-49)61-42-53(45-23-11-3-12-24-45)39-57(47-27-15-5-16-28-47)63(61)64(62)54-29-17-6-18-30-54/h2-5,7,9-15,17,19-27,29-34,36-39,41-42,51H,1,6,8,16,18,28,35,40H2
InChIKeyYWLGUTKFZGHXHD-UHFFFAOYSA-N
XLogP17.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.11
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole with MolForge

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Related Compounds

3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
CID 174151922
CID 174151922
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
CID 145347622
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
CID 145407612
5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170271450

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole (CID 123407693) is 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole is C1=CCCC(c2cc(-c3ccccc3)cc3c4cc(-c5ccc6c(c5)-c5cc(-c7ccccc7)cc(-c7ccccc7)c5CC(C5=CCCC=C5)C6)ccc4n(C4=CCCC=C4)c23)=C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole?
The InChIKey is YWLGUTKFZGHXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-7-19-43(20-8-1)51-35-50-32-31-48(36-56(50)59-41-52(44-21-9-2-10-22-44)38-55(58(59)40-51)46-25-13-4-14-26-46)49-33-34-62-60(37-49)61-42-53(45-23-11-3-12-24-45)39-57(47-27-15-5-16-28-47)63(61)64(62)54-29-17-6-18-30-54/h2-5,7,9-15,17,19-27,29-34,36-39,41-42,51H,1,6,8,16,18,28,35,40H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole?
1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole has a molecular weight of 822.11 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole is sourced from PubChem (CID 123407693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).