1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine

C162H105N7O3 — CID 118402476

IUPAC1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc3n4-c3ccccc3)cc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc5n6-c5ccccc5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C162H105N7O3/c1-7-28-121(29-8-1)163(127-76-64-109(65-77-127)118-73-97-154-148(103-118)145-100-115(70-94-151(145)167(154)124-34-13-4-14-35-124)106-52-58-112(59-53-106)136-43-25-46-142-139-40-19-22-49-157(139)170-160(136)142)130-82-88-133(89-83-130)166(134-90-84-131(85-91-134)164(122-30-9-2-10-31-122)128-78-66-110(67-79-128)119-74-98-155-149(104-119)146-101-116(71-95-152(146)168(155)125-36-15-5-16-37-125)107-54-60-113(61-55-107)137-44-26-47-143-140-41-20-23-50-158(140)171-161(137)143)135-92-86-132(87-93-135)165(123-32-11-3-12-33-123)129-80-68-111(69-81-129)120-75-99-156-150(105-120)147-102-117(72-96-153(147)169(156)126-38-17-6-18-39-126)108-56-62-114(63-57-108)138-45-27-48-144-141-42-21-24-51-159(141)172-162(138)144/h1-105H
InChIKeySLTQLNXFHNPFBQ-UHFFFAOYSA-N
MW2197.67 g/mol
LogP45.56
Rot. Bonds24

About 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine

1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 118402476) has the molecular formula C162H105N7O3 and a molecular weight of 2197.67 g/mol. Its IUPAC name is 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
PubChem CID118402476
Molecular FormulaC162H105N7O3
Molecular Weight2197.67 g/mol
Exact Mass2195.83
IUPAC Name1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc3n4-c3ccccc3)cc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc5n6-c5ccccc5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C162H105N7O3/c1-7-28-121(29-8-1)163(127-76-64-109(65-77-127)118-73-97-154-148(103-118)145-100-115(70-94-151(145)167(154)124-34-13-4-14-35-124)106-52-58-112(59-53-106)136-43-25-46-142-139-40-19-22-49-157(139)170-160(136)142)130-82-88-133(89-83-130)166(134-90-84-131(85-91-134)164(122-30-9-2-10-31-122)128-78-66-110(67-79-128)119-74-98-155-149(104-119)146-101-116(71-95-152(146)168(155)125-36-15-5-16-37-125)107-54-60-113(61-55-107)137-44-26-47-143-140-41-20-23-50-158(140)171-161(137)143)135-92-86-132(87-93-135)165(123-32-11-3-12-33-123)129-80-68-111(69-81-129)120-75-99-156-150(105-120)147-102-117(72-96-153(147)169(156)126-38-17-6-18-39-126)108-56-62-114(63-57-108)138-45-27-48-144-141-42-21-24-51-159(141)172-162(138)144/h1-105H
InChIKeySLTQLNXFHNPFBQ-UHFFFAOYSA-N
XLogP45.56
TPSA67.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002197.67
LogP ≤ 545.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443649
N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58510680

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine (CID 118402476) is 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc3n4-c3ccccc3)cc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc5n6-c5ccccc5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc5n6-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The InChIKey is SLTQLNXFHNPFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H105N7O3/c1-7-28-121(29-8-1)163(127-76-64-109(65-77-127)118-73-97-154-148(103-118)145-100-115(70-94-151(145)167(154)124-34-13-4-14-35-124)106-52-58-112(59-53-106)136-43-25-46-142-139-40-19-22-49-157(139)170-160(136)142)130-82-88-133(89-83-130)166(134-90-84-131(85-91-134)164(122-30-9-2-10-31-122)128-78-66-110(67-79-128)119-74-98-155-149(104-119)146-101-116(71-95-152(146)168(155)125-36-15-5-16-37-125)107-54-60-113(61-55-107)137-44-26-47-143-140-41-20-23-50-158(140)171-161(137)143)135-92-86-132(87-93-135)165(123-32-11-3-12-33-123)129-80-68-111(69-81-129)120-75-99-156-150(105-120)147-102-117(72-96-153(147)169(156)126-38-17-6-18-39-126)108-56-62-114(63-57-108)138-45-27-48-144-141-42-21-24-51-159(141)172-162(138)144/h1-105H.
What are the key properties of 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 2197.67 g/mol, XLogP of 45.56, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 118402476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).