4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline

C144H106N6O2 — CID 58536427

About 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline

4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline (PubChem CID 58536427) has the molecular formula C144H106N6O2 and a molecular weight of 1952.47 g/mol. Its IUPAC name is 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline
• PubChem CID: 58536427
• Molecular Formula: C144H106N6O2
• Molecular Weight: 1952.47 g/mol
• Exact Mass: 1950.84
• IUPAC Name: 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline
• SMILES: C=C/C=C\C(=C)N(/C(C=C)=C/C=C)c1ccc(-c2ccc(-c3ccc4oc5ccc(C(=C)/C=C\C(=C)N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(C(=C)/C=C\C(=C)N(c9ccccc9)c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccc(-c%12ccc%13oc%14ccc(-c%15ccc(-c%16ccc%17c(c%16)c%16ccccc%16n%17-c%16ccccc%16)cc%15)cc%14c%13c%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5c4c3)cc2)cc1
• InChI: InChI=1S/C144H106N6O2/c1-9-12-31-101(6)145(120(11-3)30-10-2)126-77-58-106(59-78-126)105-48-50-112(51-49-105)117-72-91-142-136(96-117)135-94-115(71-90-141(135)151-142)100(5)45-47-103(8)147(122-34-20-14-21-35-122)128-81-62-108(63-82-128)109-64-83-130(84-65-109)148(123-36-22-15-23-37-123)129-75-56-104(57-76-129)99(4)44-46-102(7)146(121-32-18-13-19-33-121)127-79-60-107(61-80-127)110-66-85-131(86-67-110)149(124-38-24-16-25-39-124)132-87-68-114(69-88-132)119-74-93-144-138(98-119)137-97-118(73-92-143(137)152-144)113-54-52-111(53-55-113)116-70-89-140-134(95-116)133-42-28-29-43-139(133)150(140)125-40-26-17-27-41-125/h9-98H,1-8H2/b31-12-,46-44-,47-45-,120-30+
• InChIKey: KXISHBUZYPCSCC-BFOAEGQCSA-N
• XLogP: 40.35
• TPSA: 47.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1952.47
LogP ≤ 5	40.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline?

The IUPAC name of 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline (CID 58536427) is 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline.

What is the SMILES notation for 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline?

The canonical SMILES for 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline is C=C/C=C\C(=C)N(/C(C=C)=C/C=C)c1ccc(-c2ccc(-c3ccc4oc5ccc(C(=C)/C=C\C(=C)N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(C(=C)/C=C\C(=C)N(c9ccccc9)c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccc(-c%12ccc%13oc%14ccc(-c%15ccc(-c%16ccc%17c(c%16)c%16ccccc%16n%17-c%16ccccc%16)cc%15)cc%14c%13c%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5c4c3)cc2)cc1.

What is the InChIKey of 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline?

The InChIKey is KXISHBUZYPCSCC-BFOAEGQCSA-N. The full InChI is InChI=1S/C144H106N6O2/c1-9-12-31-101(6)145(120(11-3)30-10-2)126-77-58-106(59-78-126)105-48-50-112(51-49-105)117-72-91-142-136(96-117)135-94-115(71-90-141(135)151-142)100(5)45-47-103(8)147(122-34-20-14-21-35-122)128-81-62-108(63-82-128)109-64-83-130(84-65-109)148(123-36-22-15-23-37-123)129-75-56-104(57-76-129)99(4)44-46-102(7)146(121-32-18-13-19-33-121)127-79-60-107(61-80-127)110-66-85-131(86-67-110)149(124-38-24-16-25-39-124)132-87-68-114(69-88-132)119-74-93-144-138(98-119)137-97-118(73-92-143(137)152-144)113-54-52-111(53-55-113)116-70-89-140-134(95-116)133-42-28-29-43-139(133)150(140)125-40-26-17-27-41-125/h9-98H,1-8H2/b31-12-,46-44-,47-45-,120-30+.

What are the key properties of 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline?

4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline has a molecular weight of 1952.47 g/mol, XLogP of 40.35, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline is sourced from PubChem (CID 58536427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).