7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole

C62H49N3 — CID 155198092

IUPAC7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole
SMILESC1=CCCC(c2cc(C3C=CC=C(C4CCCc5c4c4ccc(-c6ccc7c8c(n(-c9ccc%10ccccc%10c9)c7c6)C=CCC8)cc4c4ccccc54)C3)nc(-c3ccccc3)n2)=C1
InChIInChI=1S/C62H49N3/c1-3-16-41(17-4-1)57-39-58(64-62(63-57)42-18-5-2-6-19-42)47-22-13-21-46(35-47)49-26-14-27-54-50-23-9-10-24-51(50)56-37-44(31-34-55(56)61(49)54)45-30-33-53-52-25-11-12-28-59(52)65(60(53)38-45)48-32-29-40-15-7-8-20-43(40)36-48/h1-3,5-10,12-13,15-16,18-24,28-34,36-39,47,49H,4,11,14,17,25-27,35H2
InChIKeyUUWNBANNXJHKPN-UHFFFAOYSA-N
MW836.10 g/mol
LogP16.00
Rot. Bonds6

About 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole

7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole (PubChem CID 155198092) has the molecular formula C62H49N3 and a molecular weight of 836.10 g/mol. Its IUPAC name is 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole
PubChem CID155198092
Molecular FormulaC62H49N3
Molecular Weight836.10 g/mol
Exact Mass835.39
IUPAC Name7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole
SMILESC1=CCCC(c2cc(C3C=CC=C(C4CCCc5c4c4ccc(-c6ccc7c8c(n(-c9ccc%10ccccc%10c9)c7c6)C=CCC8)cc4c4ccccc54)C3)nc(-c3ccccc3)n2)=C1
InChIInChI=1S/C62H49N3/c1-3-16-41(17-4-1)57-39-58(64-62(63-57)42-18-5-2-6-19-42)47-22-13-21-46(35-47)49-26-14-27-54-50-23-9-10-24-51(50)56-37-44(31-34-55(56)61(49)54)45-30-33-53-52-25-11-12-28-59(52)65(60(53)38-45)48-32-29-40-15-7-8-20-43(40)36-48/h1-3,5-10,12-13,15-16,18-24,28-34,36-39,47,49H,4,11,14,17,25-27,35H2
InChIKeyUUWNBANNXJHKPN-UHFFFAOYSA-N
XLogP16.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.10
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole with MolForge

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Related Compounds

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
CID 118587825
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
6-cyclohexa-1,3-dien-1-yl-9-[9-(2,6-diphenylpyrimidin-4-yl)-8,9-dihydrodibenzofuran-4-yl]-2-phenylcarbazole
CID 166860030
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327

Frequently Asked Questions

What is the IUPAC name of 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole?
The IUPAC name of 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole (CID 155198092) is 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole.
What is the SMILES notation for 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole?
The canonical SMILES for 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole is C1=CCCC(c2cc(C3C=CC=C(C4CCCc5c4c4ccc(-c6ccc7c8c(n(-c9ccc%10ccccc%10c9)c7c6)C=CCC8)cc4c4ccccc54)C3)nc(-c3ccccc3)n2)=C1.
What is the InChIKey of 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole?
The InChIKey is UUWNBANNXJHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N3/c1-3-16-41(17-4-1)57-39-58(64-62(63-57)42-18-5-2-6-19-42)47-22-13-21-46(35-47)49-26-14-27-54-50-23-9-10-24-51(50)56-37-44(31-34-55(56)61(49)54)45-30-33-53-52-25-11-12-28-59(52)65(60(53)38-45)48-32-29-40-15-7-8-20-43(40)36-48/h1-3,5-10,12-13,15-16,18-24,28-34,36-39,47,49H,4,11,14,17,25-27,35H2.
What are the key properties of 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole?
7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole has a molecular weight of 836.10 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole is sourced from PubChem (CID 155198092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).