5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine

C55H56N2 — CID 126498123

IUPAC5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c4ccccc4c2-3)c1
InChIInChI=1S/C55H56N2/c1-33-23-34(2)26-40(25-33)56(41-27-35(3)24-36(4)28-41)39-19-20-44-47(31-39)55(11,12)48-32-51(42-15-13-14-16-43(42)52(44)48)57-49-21-17-37(53(5,6)7)29-45(49)46-30-38(54(8,9)10)18-22-50(46)57/h13-32H,1-12H3
InChIKeyFKRONIJDMVUUFC-UHFFFAOYSA-N
MW745.07 g/mol
LogP15.54
Rot. Bonds4

About 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine

5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine (PubChem CID 126498123) has the molecular formula C55H56N2 and a molecular weight of 745.07 g/mol. Its IUPAC name is 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound Name5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
PubChem CID126498123
Molecular FormulaC55H56N2
Molecular Weight745.07 g/mol
Exact Mass744.44
IUPAC Name5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c4ccccc4c2-3)c1
InChIInChI=1S/C55H56N2/c1-33-23-34(2)26-40(25-33)56(41-27-35(3)24-36(4)28-41)39-19-20-44-47(31-39)55(11,12)48-32-51(42-15-13-14-16-43(42)52(44)48)57-49-21-17-37(53(5,6)7)29-45(49)46-30-38(54(8,9)10)18-22-50(46)57/h13-32H,1-12H3
InChIKeyFKRONIJDMVUUFC-UHFFFAOYSA-N
XLogP15.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.07
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine 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

5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine
CID 66805214
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309728
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
28-tert-butyl-10-N,22-N-bis(3,5-dimethylphenyl)-10-N,22-N-bis(4-fluorophenyl)-7,7-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840225
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893084
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-9-N-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N-[3-(3-phenylphenyl)phenyl]benzo[c]fluorene-5,9-diamine
CID 159267719
N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 118038912
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine
CID 144613129

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine (CID 126498123) is 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine.
What is the SMILES notation for 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The canonical SMILES for 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c4ccccc4c2-3)c1.
What is the InChIKey of 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The InChIKey is FKRONIJDMVUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56N2/c1-33-23-34(2)26-40(25-33)56(41-27-35(3)24-36(4)28-41)39-19-20-44-47(31-39)55(11,12)48-32-51(42-15-13-14-16-43(42)52(44)48)57-49-21-17-37(53(5,6)7)29-45(49)46-30-38(54(8,9)10)18-22-50(46)57/h13-32H,1-12H3.
What are the key properties of 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine has a molecular weight of 745.07 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 126498123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).