5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole

C37H26N4 — CID 135131175

IUPAC5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ncccc43)ccc2-c2ccc(-n3c4ccccc4c4ncccc43)cc21
InChIInChI=1S/C37H26N4/c1-37(2)29-21-23(40-31-11-5-3-9-27(31)35-33(40)13-7-19-38-35)15-17-25(29)26-18-16-24(22-30(26)37)41-32-12-6-4-10-28(32)36-34(41)14-8-20-39-36/h3-22H,1-2H3
InChIKeyGJSVHSNPQFKULN-UHFFFAOYSA-N
MW526.64 g/mol
LogP8.98
Rot. Bonds2

About 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole

5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole (PubChem CID 135131175) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
PubChem CID135131175
Molecular FormulaC37H26N4
Molecular Weight526.64 g/mol
Exact Mass526.22
IUPAC Name5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ncccc43)ccc2-c2ccc(-n3c4ccccc4c4ncccc43)cc21
InChIInChI=1S/C37H26N4/c1-37(2)29-21-23(40-31-11-5-3-9-27(31)35-33(40)13-7-19-38-35)15-17-25(29)26-18-16-24(22-30(26)37)41-32-12-6-4-10-28(32)36-34(41)14-8-20-39-36/h3-22H,1-2H3
InChIKeyGJSVHSNPQFKULN-UHFFFAOYSA-N
XLogP8.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole with MolForge

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Related Compounds

5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 89115165
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
CID 146356615
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212588
10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063786
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 89115162
7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 163866831
9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole
CID 163523905

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole (CID 135131175) is 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole is CC1(C)c2cc(-n3c4ccccc4c4ncccc43)ccc2-c2ccc(-n3c4ccccc4c4ncccc43)cc21.
What is the InChIKey of 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole?
The InChIKey is GJSVHSNPQFKULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-37(2)29-21-23(40-31-11-5-3-9-27(31)35-33(40)13-7-19-38-35)15-17-25(29)26-18-16-24(22-30(26)37)41-32-12-6-4-10-28(32)36-34(41)14-8-20-39-36/h3-22H,1-2H3.
What are the key properties of 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole?
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole has a molecular weight of 526.64 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 135131175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).