1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C126H84N6 — CID 59815961

IUPAC1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)cc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C126H84N6/c1-10-34-85(35-11-1)91-58-64-121-109(76-91)110-77-92(86-36-12-2-13-37-86)59-65-122(110)130(121)118-73-70-115(103-52-28-31-55-106(103)118)127(97-46-22-7-23-47-97)100-82-101(128(98-48-24-8-25-49-98)116-71-74-119(107-56-32-29-53-104(107)116)131-123-66-60-93(87-38-14-3-15-39-87)78-111(123)112-79-94(61-67-124(112)131)88-40-16-4-17-41-88)84-102(83-100)129(99-50-26-9-27-51-99)117-72-75-120(108-57-33-30-54-105(108)117)132-125-68-62-95(89-42-18-5-19-43-89)80-113(125)114-81-96(63-69-126(114)132)90-44-20-6-21-45-90/h1-84H
InChIKeyMKCHFSIUKVKPGD-UHFFFAOYSA-N
MW1682.10 g/mol
LogP34.85
Rot. Bonds18

About 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 59815961) has the molecular formula C126H84N6 and a molecular weight of 1682.10 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID59815961
Molecular FormulaC126H84N6
Molecular Weight1682.10 g/mol
Exact Mass1680.68
IUPAC Name1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)cc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C126H84N6/c1-10-34-85(35-11-1)91-58-64-121-109(76-91)110-77-92(86-36-12-2-13-37-86)59-65-122(110)130(121)118-73-70-115(103-52-28-31-55-106(103)118)127(97-46-22-7-23-47-97)100-82-101(128(98-48-24-8-25-49-98)116-71-74-119(107-56-32-29-53-104(107)116)131-123-66-60-93(87-38-14-3-15-39-87)78-111(123)112-79-94(61-67-124(112)131)88-40-16-4-17-41-88)84-102(83-100)129(99-50-26-9-27-51-99)117-72-75-120(108-57-33-30-54-105(108)117)132-125-68-62-95(89-42-18-5-19-43-89)80-113(125)114-81-96(63-69-126(114)132)90-44-20-6-21-45-90/h1-84H
InChIKeyMKCHFSIUKVKPGD-UHFFFAOYSA-N
XLogP34.85
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.10
LogP ≤ 534.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

1-N,3-N-bis[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-5-N-[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 157297321
2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 177073316
4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 177073320
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylnaphthalen-1-yl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175584
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 89212986
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 142704370
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 59815961) is 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)cc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is MKCHFSIUKVKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H84N6/c1-10-34-85(35-11-1)91-58-64-121-109(76-91)110-77-92(86-36-12-2-13-37-86)59-65-122(110)130(121)118-73-70-115(103-52-28-31-55-106(103)118)127(97-46-22-7-23-47-97)100-82-101(128(98-48-24-8-25-49-98)116-71-74-119(107-56-32-29-53-104(107)116)131-123-66-60-93(87-38-14-3-15-39-87)78-111(123)112-79-94(61-67-124(112)131)88-40-16-4-17-41-88)84-102(83-100)129(99-50-26-9-27-51-99)117-72-75-120(108-57-33-30-54-105(108)117)132-125-68-62-95(89-42-18-5-19-43-89)80-113(125)114-81-96(63-69-126(114)132)90-44-20-6-21-45-90/h1-84H.
What are the key properties of 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1682.10 g/mol, XLogP of 34.85, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 59815961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).