5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

C73H54N4 — CID 145204311

IUPAC5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2C2C=CC(n3c4ccc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc4c4ccc5ccccc5c43)=CC21
InChIInChI=1S/C73H54N4/c1-73(2)67-33-19-17-31-61(67)62-40-37-57(48-68(62)73)77-71-41-36-50(45-65(71)64-39-35-49-21-15-16-30-60(49)72(64)77)51-43-58(74(52-22-7-3-8-23-52)53-24-9-4-10-25-53)46-59(44-51)75(54-26-11-5-12-27-54)56-38-42-70-66(47-56)63-32-18-20-34-69(63)76(70)55-28-13-6-14-29-55/h3-48,62,68H,1-2H3
InChIKeyFNXVAZBHOOVBEM-UHFFFAOYSA-N
MW987.26 g/mol
LogP19.75
Rot. Bonds9

About 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 145204311) has the molecular formula C73H54N4 and a molecular weight of 987.26 g/mol. Its IUPAC name is 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
PubChem CID145204311
Molecular FormulaC73H54N4
Molecular Weight987.26 g/mol
Exact Mass986.43
IUPAC Name5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2C2C=CC(n3c4ccc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc4c4ccc5ccccc5c43)=CC21
InChIInChI=1S/C73H54N4/c1-73(2)67-33-19-17-31-61(67)62-40-37-57(48-68(62)73)77-71-41-36-50(45-65(71)64-39-35-49-21-15-16-30-60(49)72(64)77)51-43-58(74(52-22-7-3-8-23-52)53-24-9-4-10-25-53)46-59(44-51)75(54-26-11-5-12-27-54)56-38-42-70-66(47-56)63-32-18-20-34-69(63)76(70)55-28-13-6-14-29-55/h3-48,62,68H,1-2H3
InChIKeyFNXVAZBHOOVBEM-UHFFFAOYSA-N
XLogP19.75
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.26
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine with MolForge

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Related Compounds

4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 140910759
3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
CID 118485804
3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
CID 118485800
3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole
CID 163741949
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
CID 167243662
N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299727
3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 129256040
3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162088224
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059

Frequently Asked Questions

What is the IUPAC name of 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (CID 145204311) is 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is CC1(C)c2ccccc2C2C=CC(n3c4ccc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc4c4ccc5ccccc5c43)=CC21.
What is the InChIKey of 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The InChIKey is FNXVAZBHOOVBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N4/c1-73(2)67-33-19-17-31-61(67)62-40-37-57(48-68(62)73)77-71-41-36-50(45-65(71)64-39-35-49-21-15-16-30-60(49)72(64)77)51-43-58(74(52-22-7-3-8-23-52)53-24-9-4-10-25-53)46-59(44-51)75(54-26-11-5-12-27-54)56-38-42-70-66(47-56)63-32-18-20-34-69(63)76(70)55-28-13-6-14-29-55/h3-48,62,68H,1-2H3.
What are the key properties of 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine has a molecular weight of 987.26 g/mol, XLogP of 19.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 145204311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).