N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine

C65H45N3 — CID 90128745

IUPACN-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
SMILESCC1(C)c2cc(-c3ccc4c(ccc5c6ccccc6n(-c6ccccc6)c45)c3)ccc2-c2c1cc(N(c1ccccc1)c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc21
InChIInChI=1S/C65H45N3/c1-65(2)57-39-43(42-30-34-49-44(38-42)32-35-54-51-25-14-17-29-60(51)68(64(49)54)47-22-10-5-11-23-47)31-36-55(57)63-53-27-13-12-24-50(53)62(41-58(63)65)66(45-18-6-3-7-19-45)48-33-37-61-56(40-48)52-26-15-16-28-59(52)67(61)46-20-8-4-9-21-46/h3-41H,1-2H3
InChIKeyGBWPTHITDYDKRN-UHFFFAOYSA-N
MW868.10 g/mol
LogP17.63
Rot. Bonds6

About N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine

N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 90128745) has the molecular formula C65H45N3 and a molecular weight of 868.10 g/mol. Its IUPAC name is N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
PubChem CID90128745
Molecular FormulaC65H45N3
Molecular Weight868.10 g/mol
Exact Mass867.36
IUPAC NameN-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
SMILESCC1(C)c2cc(-c3ccc4c(ccc5c6ccccc6n(-c6ccccc6)c45)c3)ccc2-c2c1cc(N(c1ccccc1)c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc21
InChIInChI=1S/C65H45N3/c1-65(2)57-39-43(42-30-34-49-44(38-42)32-35-54-51-25-14-17-29-60(51)68(64(49)54)47-22-10-5-11-23-47)31-36-55(57)63-53-27-13-12-24-50(53)62(41-58(63)65)66(45-18-6-3-7-19-45)48-33-37-61-56(40-48)52-26-15-16-28-59(52)67(61)46-20-8-4-9-21-46/h3-41H,1-2H3
InChIKeyGBWPTHITDYDKRN-UHFFFAOYSA-N
XLogP17.63
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.10
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299727
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
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
N-[9,9-dimethyl-7-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)fluoren-2-yl]-N,9-diphenylcarbazol-3-amine
CID 177100411
4-[2-[7-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenanthren-2-yl]ethenyl]-N,N-diphenylaniline
CID 123947405
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479
N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 162770145
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123489530
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864

Frequently Asked Questions

What is the IUPAC name of N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine (CID 90128745) is N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine is CC1(C)c2cc(-c3ccc4c(ccc5c6ccccc6n(-c6ccccc6)c45)c3)ccc2-c2c1cc(N(c1ccccc1)c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc21.
What is the InChIKey of N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is GBWPTHITDYDKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N3/c1-65(2)57-39-43(42-30-34-49-44(38-42)32-35-54-51-25-14-17-29-60(51)68(64(49)54)47-22-10-5-11-23-47)31-36-55(57)63-53-27-13-12-24-50(53)62(41-58(63)65)66(45-18-6-3-7-19-45)48-33-37-61-56(40-48)52-26-15-16-28-59(52)67(61)46-20-8-4-9-21-46/h3-41H,1-2H3.
What are the key properties of N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine?
N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 868.10 g/mol, XLogP of 17.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 90128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).