5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C60H44N4O — CID 145157990

IUPAC5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESC1=Cc2c(c3ccccc3n2-c2cc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-n3c4ccccc4c4ccccc43)c2)CC1
InChIInChI=1S/C60H44N4O/c1-5-21-43(22-6-1)61(44-23-7-2-8-24-44)47-37-48(62(45-25-9-3-10-26-45)46-27-11-4-12-28-46)40-51(39-47)65-52-41-49(63-57-33-17-13-29-53(57)54-30-14-18-34-58(54)63)38-50(42-52)64-59-35-19-15-31-55(59)56-32-16-20-36-60(56)64/h1-15,17-31,33-42H,16,32H2
InChIKeyNUGIRJXVJYLDTA-UHFFFAOYSA-N
MW837.04 g/mol
LogP16.42
Rot. Bonds10

About 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 145157990) has the molecular formula C60H44N4O and a molecular weight of 837.04 g/mol. Its IUPAC name is 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID145157990
Molecular FormulaC60H44N4O
Molecular Weight837.04 g/mol
Exact Mass836.35
IUPAC Name5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESC1=Cc2c(c3ccccc3n2-c2cc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-n3c4ccccc4c4ccccc43)c2)CC1
InChIInChI=1S/C60H44N4O/c1-5-21-43(22-6-1)61(44-23-7-2-8-24-44)47-37-48(62(45-25-9-3-10-26-45)46-27-11-4-12-28-46)40-51(39-47)65-52-41-49(63-57-33-17-13-29-53(57)54-30-14-18-34-58(54)63)38-50(42-52)64-59-35-19-15-31-55(59)56-32-16-20-36-60(56)64/h1-15,17-31,33-42H,16,32H2
InChIKeyNUGIRJXVJYLDTA-UHFFFAOYSA-N
XLogP16.42
TPSA25.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
CID 147490956
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 88928125
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259

Frequently Asked Questions

What is the IUPAC name of 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 145157990) is 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is C1=Cc2c(c3ccccc3n2-c2cc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-n3c4ccccc4c4ccccc43)c2)CC1.
What is the InChIKey of 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is NUGIRJXVJYLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4O/c1-5-21-43(22-6-1)61(44-23-7-2-8-24-44)47-37-48(62(45-25-9-3-10-26-45)46-27-11-4-12-28-46)40-51(39-47)65-52-41-49(63-57-33-17-13-29-53(57)54-30-14-18-34-58(54)63)38-50(42-52)64-59-35-19-15-31-55(59)56-32-16-20-36-60(56)64/h1-15,17-31,33-42H,16,32H2.
What are the key properties of 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 837.04 g/mol, XLogP of 16.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 145157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).