11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine

C160H117N9 — CID 160753500

IUPAC11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4c4ccc5ccccc5c43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4cc5ccccc5cc4c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc43)cc21.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4cc5ccccc5cc4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/2C55H41N3.C50H35N3/c1-55(2)49-30-18-17-29-46(49)47-32-31-44(35-50(47)55)58-51-34-39-20-16-15-19-38(39)33-48(51)54-52(57(42-25-11-5-12-26-42)43-27-13-6-14-28-43)36-45(37-53(54)58)56(40-21-7-3-8-22-40)41-23-9-4-10-24-41;1-55(2)49-30-18-17-29-46(49)47-34-32-43(35-50(47)55)58-52-37-44(56(39-20-7-3-8-21-39)40-22-9-4-10-23-40)36-51(53(52)48-33-31-38-19-15-16-28-45(38)54(48)58)57(41-24-11-5-12-25-41)42-26-13-6-14-27-42;1-5-21-40(22-6-1)51(41-23-7-2-8-24-41)45-34-48(52(42-25-9-3-10-26-42)43-27-11-4-12-28-43)50-46-32-38-19-15-16-20-39(38)33-47(46)53(49(50)35-45)44-30-29-36-17-13-14-18-37(36)31-44/h2*3-37H,1-2H3;1-35H
InChIKeyRXCYZEHAGUTBEZ-UHFFFAOYSA-N
MW2165.76 g/mol
LogP44.40
Rot. Bonds21

About 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine

11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine (PubChem CID 160753500) has the molecular formula C160H117N9 and a molecular weight of 2165.76 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine.

Molecular Properties

Compound Name11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
PubChem CID160753500
Molecular FormulaC160H117N9
Molecular Weight2165.76 g/mol
Exact Mass2163.94
IUPAC Name11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4c4ccc5ccccc5c43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4cc5ccccc5cc4c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc43)cc21.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4cc5ccccc5cc4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/2C55H41N3.C50H35N3/c1-55(2)49-30-18-17-29-46(49)47-32-31-44(35-50(47)55)58-51-34-39-20-16-15-19-38(39)33-48(51)54-52(57(42-25-11-5-12-26-42)43-27-13-6-14-28-43)36-45(37-53(54)58)56(40-21-7-3-8-22-40)41-23-9-4-10-24-41;1-55(2)49-30-18-17-29-46(49)47-34-32-43(35-50(47)55)58-52-37-44(56(39-20-7-3-8-21-39)40-22-9-4-10-23-40)36-51(53(52)48-33-31-38-19-15-16-28-45(38)54(48)58)57(41-24-11-5-12-25-41)42-26-13-6-14-27-42;1-5-21-40(22-6-1)51(41-23-7-2-8-24-41)45-34-48(52(42-25-9-3-10-26-42)43-27-11-4-12-28-43)50-46-32-38-19-15-16-20-39(38)33-47(46)53(49(50)35-45)44-30-29-36-17-13-14-18-37(36)31-44/h2*3-37H,1-2H3;1-35H
InChIKeyRXCYZEHAGUTBEZ-UHFFFAOYSA-N
XLogP44.40
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002165.76
LogP ≤ 544.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine with MolForge

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Related Compounds

1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
CID 154965954
4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965960
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664
11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
CID 154965731
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385663
2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965860
N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139551201
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine;N-(3,5-diphenylphenyl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
CID 160778947
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 139500760

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
The IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine (CID 160753500) is 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine.
What is the SMILES notation for 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
The canonical SMILES for 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine is CC1(C)c2ccccc2-c2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4c4ccc5ccccc5c43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4cc5ccccc5cc4c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc43)cc21.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4cc5ccccc5cc4n(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
The InChIKey is RXCYZEHAGUTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H41N3.C50H35N3/c1-55(2)49-30-18-17-29-46(49)47-32-31-44(35-50(47)55)58-51-34-39-20-16-15-19-38(39)33-48(51)54-52(57(42-25-11-5-12-26-42)43-27-13-6-14-28-43)36-45(37-53(54)58)56(40-21-7-3-8-22-40)41-23-9-4-10-24-41;1-55(2)49-30-18-17-29-46(49)47-34-32-43(35-50(47)55)58-52-37-44(56(39-20-7-3-8-21-39)40-22-9-4-10-23-40)36-51(53(52)48-33-31-38-19-15-16-28-45(38)54(48)58)57(41-24-11-5-12-25-41)42-26-13-6-14-27-42;1-5-21-40(22-6-1)51(41-23-7-2-8-24-41)45-34-48(52(42-25-9-3-10-26-42)43-27-11-4-12-28-43)50-46-32-38-19-15-16-20-39(38)33-47(46)53(49(50)35-45)44-30-29-36-17-13-14-18-37(36)31-44/h2*3-37H,1-2H3;1-35H.
What are the key properties of 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine has a molecular weight of 2165.76 g/mol, XLogP of 44.40, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine is sourced from PubChem (CID 160753500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).