N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine

C169H130N4S7 — CID 166662876

About N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine

N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine (PubChem CID 166662876) has the molecular formula C169H130N4S7 and a molecular weight of 2441.40 g/mol. Its IUPAC name is N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
• PubChem CID: 166662876
• Molecular Formula: C169H130N4S7
• Molecular Weight: 2441.40 g/mol
• Exact Mass: 2438.83
• IUPAC Name: N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
• SMILES: C=CCSc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(/C=C/CSc5ccc(C6(c7ccc(SCC=C)cc7)c7ccccc7-c7ccc(N(c8ccccc8)c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc%11c(c%10)C(c%10ccc(SCC=C)cc%10)(c%10ccc(SCC=C)cc%10)c%10ccccc%10-%11)cc9)cc8)cc76)cc5)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(SCC=C)cc6)(c6ccc(SCC=C)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C169H130N4S7/c1-7-107-174-143-89-61-124(62-90-143)166(123-35-17-13-18-36-123)158-47-29-25-43-150(158)154-106-88-142(117-162(154)166)173(138-83-59-122(60-84-138)121-57-81-137(82-58-121)171(132-39-21-15-22-40-132)140-86-104-156-152-45-27-31-49-160(152)168(164(156)115-140,127-67-95-146(96-68-127)177-110-10-4)128-69-97-147(98-70-128)178-111-11-5)134-75-51-118(52-76-134)34-33-113-180-149-101-73-130(74-102-149)169(129-71-99-148(100-72-129)179-112-12-6)161-50-32-28-46-153(161)157-105-87-141(116-165(157)169)172(133-41-23-16-24-42-133)136-79-55-120(56-80-136)119-53-77-135(78-54-119)170(131-37-19-14-20-38-131)139-85-103-155-151-44-26-30-48-159(151)167(163(155)114-139,125-63-91-144(92-64-125)175-108-8-2)126-65-93-145(94-66-126)176-109-9-3/h7-106,114-117H,1-6,107-113H2/b34-33+
• InChIKey: BFHLHRFKZLJGLJ-JEIPZWNWSA-N
• XLogP: 46.83
• TPSA: 12.96 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 44
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2441.40
LogP ≤ 5	46.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine (CID 166662876) is N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine is C=CCSc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(/C=C/CSc5ccc(C6(c7ccc(SCC=C)cc7)c7ccccc7-c7ccc(N(c8ccccc8)c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc%11c(c%10)C(c%10ccc(SCC=C)cc%10)(c%10ccc(SCC=C)cc%10)c%10ccccc%10-%11)cc9)cc8)cc76)cc5)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(SCC=C)cc6)(c6ccc(SCC=C)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1.

What is the InChIKey of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

The InChIKey is BFHLHRFKZLJGLJ-JEIPZWNWSA-N. The full InChI is InChI=1S/C169H130N4S7/c1-7-107-174-143-89-61-124(62-90-143)166(123-35-17-13-18-36-123)158-47-29-25-43-150(158)154-106-88-142(117-162(154)166)173(138-83-59-122(60-84-138)121-57-81-137(82-58-121)171(132-39-21-15-22-40-132)140-86-104-156-152-45-27-31-49-160(152)168(164(156)115-140,127-67-95-146(96-68-127)177-110-10-4)128-69-97-147(98-70-128)178-111-11-5)134-75-51-118(52-76-134)34-33-113-180-149-101-73-130(74-102-149)169(129-71-99-148(100-72-129)179-112-12-6)161-50-32-28-46-153(161)157-105-87-141(116-165(157)169)172(133-41-23-16-24-42-133)136-79-55-120(56-80-136)119-53-77-135(78-54-119)170(131-37-19-14-20-38-131)139-85-103-155-151-44-26-30-48-159(151)167(163(155)114-139,125-63-91-144(92-64-125)175-108-8-2)126-65-93-145(94-66-126)176-109-9-3/h7-106,114-117H,1-6,107-113H2/b34-33+.

What are the key properties of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine has a molecular weight of 2441.40 g/mol, XLogP of 46.83, 44 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine is sourced from PubChem (CID 166662876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).