8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine

C45H34N2 — CID 118668270

IUPAC8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2N(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C45H34N2/c1-45(2)38-29-33(31-17-7-3-8-18-31)27-28-36(38)42-39(45)30-37(32-19-9-4-10-20-32)43-44(42)47(35-23-13-6-14-24-35)41-26-16-15-25-40(41)46(43)34-21-11-5-12-22-34/h3-30H,1-2H3
InChIKeyZCCGYYYKPCWSJS-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.58
Rot. Bonds4

About 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine

8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine (PubChem CID 118668270) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine.

Molecular Properties

Compound Name8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine
PubChem CID118668270
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC Name8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2N(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C45H34N2/c1-45(2)38-29-33(31-17-7-3-8-18-31)27-28-36(38)42-39(45)30-37(32-19-9-4-10-20-32)43-44(42)47(35-23-13-6-14-24-35)41-26-16-15-25-40(41)46(43)34-21-11-5-12-22-34/h3-30H,1-2H3
InChIKeyZCCGYYYKPCWSJS-UHFFFAOYSA-N
XLogP12.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
9-[7-(12,12-dimethyl-15-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine?
The IUPAC name of 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine (CID 118668270) is 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine.
What is the SMILES notation for 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine?
The canonical SMILES for 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine is CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2N(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine?
The InChIKey is ZCCGYYYKPCWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-45(2)38-29-33(31-17-7-3-8-18-31)27-28-36(38)42-39(45)30-37(32-19-9-4-10-20-32)43-44(42)47(35-23-13-6-14-24-35)41-26-16-15-25-40(41)46(43)34-21-11-5-12-22-34/h3-30H,1-2H3.
What are the key properties of 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine?
8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine has a molecular weight of 602.78 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine is sourced from PubChem (CID 118668270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).