7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole

C47H35N — CID 155005585

IUPAC7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
SMILESCC1C=CC2=C(C1)C(C)(C)c1cc3c(cc12)c1ccccc1n3-c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C47H35N/c1-28-20-22-33-36-26-37-34-15-7-11-19-44(34)48(45(37)27-43(36)46(2,3)42(33)24-28)29-21-23-41-35(25-29)32-14-6-10-18-40(32)47(41)38-16-8-4-12-30(38)31-13-5-9-17-39(31)47/h4-23,25-28H,24H2,1-3H3
InChIKeyNJOSGTPDLFMKGB-UHFFFAOYSA-N
MW613.80 g/mol
LogP11.77
Rot. Bonds1

About 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole

7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole (PubChem CID 155005585) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
PubChem CID155005585
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
SMILESCC1C=CC2=C(C1)C(C)(C)c1cc3c(cc12)c1ccccc1n3-c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C47H35N/c1-28-20-22-33-36-26-37-34-15-7-11-19-44(34)48(45(37)27-43(36)46(2,3)42(33)24-28)29-21-23-41-35(25-29)32-14-6-10-18-40(32)47(41)38-16-8-4-12-30(38)31-13-5-9-17-39(31)47/h4-23,25-28H,24H2,1-3H3
InChIKeyNJOSGTPDLFMKGB-UHFFFAOYSA-N
XLogP11.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 137420875
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
CID 134551753
CID 134551753
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
CID 134551673
CID 134551673
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 131973274
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole (CID 155005585) is 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole is CC1C=CC2=C(C1)C(C)(C)c1cc3c(cc12)c1ccccc1n3-c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole?
The InChIKey is NJOSGTPDLFMKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-28-20-22-33-36-26-37-34-15-7-11-19-44(34)48(45(37)27-43(36)46(2,3)42(33)24-28)29-21-23-41-35(25-29)32-14-6-10-18-40(32)47(41)38-16-8-4-12-30(38)31-13-5-9-17-39(31)47/h4-23,25-28H,24H2,1-3H3.
What are the key properties of 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole?
7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole has a molecular weight of 613.80 g/mol, XLogP of 11.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 155005585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).