aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane

C133H93I3N10 — CID 158833173

IUPACaniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane
SMILESC.Ic1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.Ic1ccc2c(c1)c1cc(I)ccc1n2-c1ccccc1.Nc1ccccc1.c1ccc(N(c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C66H43N5.C30H19IN2.C18H11I2N.C12H9N.C6H7N.CH4/c1-4-18-44(19-5-1)67(47-32-36-63-55(40-47)57-42-49(34-38-65(57)68(63)45-20-6-2-7-21-45)70-59-28-14-10-24-51(59)52-25-11-15-29-60(52)70)48-33-37-64-56(41-48)58-43-50(35-39-66(58)69(64)46-22-8-3-9-23-46)71-61-30-16-12-26-53(61)54-27-13-17-31-62(54)71;31-20-14-16-29-25(18-20)26-19-22(15-17-30(26)32(29)21-8-2-1-3-9-21)33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-6-4-2-1-3-5-6;/h1-43H;1-19H;1-11H;1-8,13H;1-5H,7H2;1H4
InChIKeyIXHMUYHRBQXXFT-UHFFFAOYSA-N
MW2211.99 g/mol
LogP37.25
Rot. Bonds10

About aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane

aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane (PubChem CID 158833173) has the molecular formula C133H93I3N10 and a molecular weight of 2211.99 g/mol. Its IUPAC name is aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane.

Molecular Properties

Compound Nameaniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane
PubChem CID158833173
Molecular FormulaC133H93I3N10
Molecular Weight2211.99 g/mol
Exact Mass2210.47
IUPAC Nameaniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane
SMILESC.Ic1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.Ic1ccc2c(c1)c1cc(I)ccc1n2-c1ccccc1.Nc1ccccc1.c1ccc(N(c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C66H43N5.C30H19IN2.C18H11I2N.C12H9N.C6H7N.CH4/c1-4-18-44(19-5-1)67(47-32-36-63-55(40-47)57-42-49(34-38-65(57)68(63)45-20-6-2-7-21-45)70-59-28-14-10-24-51(59)52-25-11-15-29-60(52)70)48-33-37-64-56(41-48)58-43-50(35-39-66(58)69(64)46-22-8-3-9-23-46)71-61-30-16-12-26-53(61)54-27-13-17-31-62(54)71;31-20-14-16-29-25(18-20)26-19-22(15-17-30(26)32(29)21-8-2-1-3-9-21)33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-6-4-2-1-3-5-6;/h1-43H;1-19H;1-11H;1-8,13H;1-5H,7H2;1H4
InChIKeyIXHMUYHRBQXXFT-UHFFFAOYSA-N
XLogP37.25
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002211.99
LogP ≤ 537.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane with MolForge

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole
CID 163545448
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[4-[4-[N-(9H-carbazol-2-yl)anilino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 146233031
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 141087826
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
3-iodo-9-phenylcarbazole
CID 11810740
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897

Frequently Asked Questions

What is the IUPAC name of aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane?
The IUPAC name of aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane (CID 158833173) is aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane.
What is the SMILES notation for aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane?
The canonical SMILES for aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane is C.Ic1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.Ic1ccc2c(c1)c1cc(I)ccc1n2-c1ccccc1.Nc1ccccc1.c1ccc(N(c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane?
The InChIKey is IXHMUYHRBQXXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5.C30H19IN2.C18H11I2N.C12H9N.C6H7N.CH4/c1-4-18-44(19-5-1)67(47-32-36-63-55(40-47)57-42-49(34-38-65(57)68(63)45-20-6-2-7-21-45)70-59-28-14-10-24-51(59)52-25-11-15-29-60(52)70)48-33-37-64-56(41-48)58-43-50(35-39-66(58)69(64)46-22-8-3-9-23-46)71-61-30-16-12-26-53(61)54-27-13-17-31-62(54)71;31-20-14-16-29-25(18-20)26-19-22(15-17-30(26)32(29)21-8-2-1-3-9-21)33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-6-4-2-1-3-5-6;/h1-43H;1-19H;1-11H;1-8,13H;1-5H,7H2;1H4.
What are the key properties of aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane?
aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane has a molecular weight of 2211.99 g/mol, XLogP of 37.25, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane is sourced from PubChem (CID 158833173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).