10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine

C49H33N3 — CID 129063786

IUPAC10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc21
InChIInChI=1S/C49H33N3/c1-49(2)43-28-32(30-15-20-34(21-16-30)52-45-13-7-5-10-38(45)39-11-6-8-14-46(39)52)17-22-36(43)37-23-18-33(29-44(37)49)31-19-24-41-42(27-31)35-9-3-4-12-40(35)47-48(41)51-26-25-50-47/h3-29H,1-2H3
InChIKeyYBODVMWHOQSXEX-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.67
Rot. Bonds3

About 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine

10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 129063786) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
PubChem CID129063786
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc21
InChIInChI=1S/C49H33N3/c1-49(2)43-28-32(30-15-20-34(21-16-30)52-45-13-7-5-10-38(45)39-11-6-8-14-46(39)52)17-22-36(43)37-23-18-33(29-44(37)49)31-19-24-41-42(27-31)35-9-3-4-12-40(35)47-48(41)51-26-25-50-47/h3-29H,1-2H3
InChIKeyYBODVMWHOQSXEX-UHFFFAOYSA-N
XLogP12.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064129
6-[3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[4-[3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159918172
6-[3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063937
3-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063906
3-[9,9-dimethyl-7-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129064197
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 163655943
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[3-[4-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064194
10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849

Frequently Asked Questions

What is the IUPAC name of 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine (CID 129063786) is 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine is CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc21.
What is the InChIKey of 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is YBODVMWHOQSXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-49(2)43-28-32(30-15-20-34(21-16-30)52-45-13-7-5-10-38(45)39-11-6-8-14-46(39)52)17-22-36(43)37-23-18-33(29-44(37)49)31-19-24-41-42(27-31)35-9-3-4-12-40(35)47-48(41)51-26-25-50-47/h3-29H,1-2H3.
What are the key properties of 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 663.82 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).