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

C140H94N6 — CID 88673324

IUPAC1-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
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5cc(N(c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(N(c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C140H94N6/c1-8-28-95(29-9-1)101-50-56-107(57-51-101)112-68-80-135-127(86-112)130-92-119(77-83-138(130)144(135)116-71-62-104(63-72-116)98-34-14-4-15-35-98)141(115-44-20-7-21-45-115)122-89-123(142(133-48-26-42-110-40-22-24-46-125(110)133)120-78-84-139-131(93-120)128-87-113(108-58-52-102(53-59-108)96-30-10-2-11-31-96)69-81-136(128)145(139)117-73-64-105(65-74-117)99-36-16-5-17-37-99)91-124(90-122)143(134-49-27-43-111-41-23-25-47-126(111)134)121-79-85-140-132(94-121)129-88-114(109-60-54-103(55-61-109)97-32-12-3-13-33-97)70-82-137(129)146(140)118-75-66-106(67-76-118)100-38-18-6-19-39-100/h1-94H
InChIKeySRJLFMMGCMCHOG-UHFFFAOYSA-N
MW1860.33 g/mol
LogP38.70
Rot. Bonds21

About 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

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 (PubChem CID 88673324) has the molecular formula C140H94N6 and a molecular weight of 1860.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID88673324
Molecular FormulaC140H94N6
Molecular Weight1860.33 g/mol
Exact Mass1858.75
IUPAC Name1-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
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5cc(N(c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(N(c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C140H94N6/c1-8-28-95(29-9-1)101-50-56-107(57-51-101)112-68-80-135-127(86-112)130-92-119(77-83-138(130)144(135)116-71-62-104(63-72-116)98-34-14-4-15-35-98)141(115-44-20-7-21-45-115)122-89-123(142(133-48-26-42-110-40-22-24-46-125(110)133)120-78-84-139-131(93-120)128-87-113(108-58-52-102(53-59-108)96-30-10-2-11-31-96)69-81-136(128)145(139)117-73-64-105(65-74-117)99-36-16-5-17-37-99)91-124(90-122)143(134-49-27-43-111-41-23-25-47-126(111)134)121-79-85-140-132(94-121)129-88-114(109-60-54-103(55-61-109)97-32-12-3-13-33-97)70-82-137(129)146(140)118-75-66-106(67-76-118)100-38-18-6-19-39-100/h1-94H
InChIKeySRJLFMMGCMCHOG-UHFFFAOYSA-N
XLogP38.70
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001860.33
LogP ≤ 538.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492179
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
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
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 158550618
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5cc(N(c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(N(c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is SRJLFMMGCMCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H94N6/c1-8-28-95(29-9-1)101-50-56-107(57-51-101)112-68-80-135-127(86-112)130-92-119(77-83-138(130)144(135)116-71-62-104(63-72-116)98-34-14-4-15-35-98)141(115-44-20-7-21-45-115)122-89-123(142(133-48-26-42-110-40-22-24-46-125(110)133)120-78-84-139-131(93-120)128-87-113(108-58-52-102(53-59-108)96-30-10-2-11-31-96)69-81-136(128)145(139)117-73-64-105(65-74-117)99-36-16-5-17-37-99)91-124(90-122)143(134-49-27-43-111-41-23-25-47-126(111)134)121-79-85-140-132(94-121)129-88-114(109-60-54-103(55-61-109)97-32-12-3-13-33-97)70-82-137(129)146(140)118-75-66-106(67-76-118)100-38-18-6-19-39-100/h1-94H.
What are the key properties of 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?
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 has a molecular weight of 1860.33 g/mol, XLogP of 38.70, 21 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[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine is sourced from PubChem (CID 88673324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).